2723598
  -OEChem-04232415192D

 30 30  0     0  0  0  0  0  0999 V2000
    2.7018    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    2.5612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    5.7771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    8.7771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    7.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    7.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    7.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    6.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    6.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    7.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9617    7.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    5.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9617    5.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    7.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8678    7.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    6.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8678    6.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    8.4317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9546    8.4317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    5.1224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9546    5.1224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4035    7.6100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4035    5.9442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7387    9.0871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648    9.0871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7387    2.8712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648    2.8712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7018    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  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  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  1  0  0  0  0
 12 16  2  0  0  0  0
 12 20  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  2  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2723598

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
207

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx/AAAHAAQCAAADAiBHgAwwPJIEACgAyRiRACCgCAhAiAImCAwZJgIIOLA0dGEJAhggADIyAcQgMAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
acridin-9-amine;hydrate;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
9-acridinamine;hydrate;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
acridin-9-amine;hydrate;hydrochloride

> <PUBCHEM_IUPAC_NAME>
acridin-9-amine;hydrate;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
acridin-9-amine;hydrate;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acridin-9-ylamine;hydrate;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H10N2.ClH.H2O/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;;/h1-8H,(H2,14,15);1H;1H2

> <PUBCHEM_IUPAC_INCHIKEY>
OREJEGKBQBIJSJ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
248.0716407

> <PUBCHEM_MOLECULAR_FORMULA>
C13H13ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
248.71

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N.O.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N.O.Cl

> <PUBCHEM_CACTVS_TPSA>
39.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
248.0716407

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
3

> <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  16  8
15  17  8
3  8  8
3  9  8
5  10  8
5  7  8
5  8  8
6  11  8
6  7  8
6  9  8
8  12  8
9  13  8

$$$$