8640
  -OEChem-04252407482D

 20 21  0     0  0  0  0  0  0999 V2000
    2.8660   -1.3623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260   -0.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188   -1.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    2.2923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.4477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678   -0.1952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    1.4706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8640

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
133

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByAAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAHAAQAAAADAiBGAAwwMBAAACAAiRCQACCAAAgAgAIiAAAZIgIICKAkZGAIABgkAAIyAcQgIAOgAAAQAASAAAAAACAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
naphthalen-1-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1-naphthalenamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
naphthalen-1-amine

> <PUBCHEM_IUPAC_NAME>
naphthalen-1-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
naphthalen-1-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-naphthylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2

> <PUBCHEM_IUPAC_INCHIKEY>
RUFPHBVGCFYCNW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.2

> <PUBCHEM_EXACT_MASS>
143.073499291

> <PUBCHEM_MOLECULAR_FORMULA>
C10H9N

> <PUBCHEM_MOLECULAR_WEIGHT>
143.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=CC=C2N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=CC=C2N

> <PUBCHEM_CACTVS_TPSA>
26

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
143.073499291

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
10  11  8
2  3  8
2  4  8
2  5  8
3  6  8
3  7  8
4  8  8
5  10  8
6  9  8
7  11  8
8  9  8

$$$$