71312404
  -OEChem-05072407222D

 31 33  0     0  0  0  0  0  0999 V2000
    2.5369    1.5427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    3.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    2.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    3.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.1627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    0.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    4.1973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    1.7098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    3.3756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1473    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.1473    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7673    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.7673    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.5773    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3 14  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 20  1  0  0  0  0
  8 12  1  0  0  0  0
  8 21  1  0  0  0  0
  9 13  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
M  ISO  5  27   2  28   2  29   2  30   2  31   2
M  END
> <PUBCHEM_COMPOUND_CID>
71312404

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
394

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAYAAAADAyBmAAwwIBiAACoA6RyQACSBAAgAgAYiAEgZNgIILKAlZGAIABgmAAIyYcYiICOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1Z)-1-[(2,3,4,5,6-pentadeuteriophenyl)hydrazono]naphthalen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(1Z)-1-[(2,3,4,5,6-pentadeuteriophenyl)hydrazinylidene]-2-naphthalenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>Z</I>)-1-[(2,3,4,5,6-pentadeuteriophenyl)hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_NAME>
(1Z)-1-[(2,3,4,5,6-pentadeuteriophenyl)hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1Z)-1-[(2,3,4,5,6-pentadeuteriophenyl)hydrazinylidene]naphthalen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1Z)-1-[(2,3,4,5,6-pentadeuteriophenyl)hydrazono]naphthalen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,17H/b18-16-/i1D,2D,3D,7D,8D

> <PUBCHEM_IUPAC_INCHIKEY>
ZONYAPYTDIVJGG-RMKIHZJYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
253.126346740

> <PUBCHEM_MOLECULAR_FORMULA>
C16H12N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
253.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32

> <PUBCHEM_OPENEYE_ISO_SMILES>
[2H]C1=C(C(=C(C(=C1[2H])[2H])N/N=C/2\C(=O)C=CC3=CC=CC=C32)[2H])[2H]

> <PUBCHEM_CACTVS_TPSA>
41.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
253.126346740

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
5

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  8
14  15  8
14  16  8
15  17  8
16  18  8
17  19  8
18  19  8
4  5  8
4  8  8
5  9  8
8  12  8
9  13  8

$$$$