4072379
  -OEChem-05142416042D

 41 44  0     0  0  0  0  0  0999 V2000
    4.6660    1.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.9573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.5427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.5427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.0427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -3.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -2.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -3.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -0.2327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -0.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -4.1973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -4.1973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -1.7098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.7098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -3.3756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.3756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -0.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    2.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    3.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2 22  1  0  0  0  0
  2 40  1  0  0  0  0
  3 26  1  0  0  0  0
  3 41  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 27  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 21  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 12 28  1  0  0  0  0
 13 17  1  0  0  0  0
 13 29  1  0  0  0  0
 14 18  2  0  0  0  0
 14 30  1  0  0  0  0
 15 19  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 37  1  0  0  0  0
 24 26  2  0  0  0  0
 24 38  1  0  0  0  0
 25 26  1  0  0  0  0
 25 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4072379

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
481

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx/AAAHgAYCAAADAyBngAwxvJqEgCoAyVyVACChCAlIiIauCE2bNgIJ/bC1dOEdUhn4BXI2YeY/OTOIAAACAAKAABAAAAQABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N'-acridin-9-yl-2,4-dihydroxy-benzohydrazide

> <PUBCHEM_IUPAC_CAS_NAME>
N'-(9-acridinyl)-2,4-dihydroxybenzohydrazide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>&apos;-acridin-9-yl-2,4-dihydroxybenzohydrazide

> <PUBCHEM_IUPAC_NAME>
N'-acridin-9-yl-2,4-dihydroxybenzohydrazide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-acridin-9-yl-2,4-bis(oxidanyl)benzohydrazide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N'-acridin-9-yl-2,4-dihydroxy-benzohydrazide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H15N3O3/c24-12-9-10-15(18(25)11-12)20(26)23-22-19-13-5-1-3-7-16(13)21-17-8-4-2-6-14(17)19/h1-11,24-25H,(H,21,22)(H,23,26)

> <PUBCHEM_IUPAC_INCHIKEY>
XJFIZXJHVSKWAV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
345.11134135

> <PUBCHEM_MOLECULAR_FORMULA>
C20H15N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
345.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC(=O)C4=C(C=C(C=C4)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC(=O)C4=C(C=C(C=C4)O)O

> <PUBCHEM_CACTVS_TPSA>
94.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
345.11134135

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
13  17  8
14  18  8
15  19  8
16  18  8
17  19  8
20  22  8
20  23  8
22  24  8
23  25  8
24  26  8
25  26  8
5  10  8
5  11  8
7  8  8
7  9  8
8  10  8
8  12  8
9  11  8
9  13  8

$$$$