8643
 OpenBabel05082101102D

 27 28  0  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    3.2158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    6.2158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    4.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    4.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    5.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    3.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    3.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9617    5.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    5.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9617    3.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    3.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8678    4.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    4.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8678    3.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    3.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9546    5.8705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    5.8705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9546    2.5612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    2.5612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4035    5.0487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4035    3.3830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7387    6.5258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6648    6.5258    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 27  1  0  0  0  0
  2  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 17  1  0  0  0  0
 10 14  1  0  0  0  0
 10 18  1  0  0  0  0
 11 15  2  0  0  0  0
 11 19  1  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
8643

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
207

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx/AAAHAAQAAAADAiBHgAwwPJIEACgAyRiRACCgCAhAiAImCAwZJgIIOLA0dGEJAhggADIyAcQgMAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
acridin-9-amine;hydrochloride

>  <PUBCHEM_IUPAC_CAS_NAME>
9-acridinamine;hydrochloride

>  <PUBCHEM_IUPAC_NAME_MARKUP>
acridin-9-amine;hydrochloride

>  <PUBCHEM_IUPAC_NAME>
acridin-9-amine;hydrochloride

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
acridin-9-amine;hydrochloride

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acridin-9-ylamine;hydrochloride

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

>  <PUBCHEM_IUPAC_INCHIKEY>
FTGPOQQGJVJDCT-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
230.061076

>  <PUBCHEM_MOLECULAR_FORMULA>
C13H11ClN2

>  <PUBCHEM_MOLECULAR_WEIGHT>
230.69

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

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

>  <PUBCHEM_CACTVS_TPSA>
38.9

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
230.061076

>  <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>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
13  15  8
14  16  8
2  7  8
2  8  8
4  6  8
4  7  8
4  9  8
5  10  8
5  6  8
5  8  8
7  11  8
8  12  8
9  13  8

$$$$
