11385
  -OEChem-05052412352D

 25 27  0     0  0  0  0  0  0999 V2000
    4.6660    0.6953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.7194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260   -1.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    0.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3321   -0.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.9247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -1.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    1.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8678   -1.1376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.1376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.5281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7343    0.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1938    1.3394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  2 10  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  2  0  0  0  0
  5  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7 16  1  0  0  0  0
  8 13  2  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 19  1  0  0  0  0
 12 15  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11385

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
229

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx/AAAHAAQAAAADAiBHgAwwPJIEACgAyRiRACCgCAhAiAImCAwZJgIIOLA0dGEJAhgkADIyAcQgMAOCAAAAAQCAAAQAAAACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
acridin-3-amine

> <PUBCHEM_IUPAC_CAS_NAME>
3-acridinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
acridin-3-amine

> <PUBCHEM_IUPAC_NAME>
acridin-3-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
acridin-3-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acridin-3-ylamine

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

> <PUBCHEM_IUPAC_INCHIKEY>
GHCKERHPOQWERJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.8

> <PUBCHEM_EXACT_MASS>
194.084398327

> <PUBCHEM_MOLECULAR_FORMULA>
C13H10N2

> <PUBCHEM_MOLECULAR_WEIGHT>
194.23

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

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

> <PUBCHEM_CACTVS_TPSA>
38.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
194.084398327

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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  5  8
1  6  8
10  13  8
11  14  8
12  15  8
14  15  8
3  5  8
3  7  8
3  8  8
4  11  8
4  6  8
4  7  8
5  9  8
6  12  8
8  13  8
9  10  8

$$$$