7099
  -OEChem-05102409252D

 27 29  0     0  0  0  0  0  0999 V2000
    6.0682    0.6953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5984    0.7194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    0.7194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8282   -1.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8282    0.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7343    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7343   -0.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -1.9247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8210   -1.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -1.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8210    1.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    1.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2700   -1.1376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665   -1.1376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1365    0.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5960    1.3394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405    1.3394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2 13  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 14  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 15  2  0  0  0  0
  9 18  1  0  0  0  0
 10 16  2  0  0  0  0
 10 19  1  0  0  0  0
 11 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
7099

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
232

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx/AAAHAAQAAAADAiBHgAwwPJIEACgAyRiRACCgCAhAiAImCAwZJgIIOLA0dGEJAhgkADIyAcQgMAOCAAAAAQCAAAQAAAACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
acridine-3,6-diamine

> <PUBCHEM_IUPAC_CAS_NAME>
acridine-3,6-diamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
acridine-3,6-diamine

> <PUBCHEM_IUPAC_NAME>
acridine-3,6-diamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
acridine-3,6-diamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6-aminoacridin-3-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2

> <PUBCHEM_IUPAC_INCHIKEY>
WDVSHHCDHLJJJR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.8

> <PUBCHEM_EXACT_MASS>
209.095297364

> <PUBCHEM_MOLECULAR_FORMULA>
C13H11N3

> <PUBCHEM_MOLECULAR_WEIGHT>
209.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N

> <PUBCHEM_CACTVS_TPSA>
64.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
209.095297364

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
1  6  8
1  7  8
10  16  8
11  13  8
12  14  8
13  15  8
14  16  8
4  6  8
4  8  8
4  9  8
5  10  8
5  7  8
5  8  8
6  11  8
7  12  8
9  15  8

$$$$