62547
  -OEChem-04262405402D

 24 26  0     0  0  0  0  0  0999 V2000
    4.6660   -1.8169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3009    2.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3073    2.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.2177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9025    2.2573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2315    2.7235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4010    2.7398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7121    2.3004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    0.9931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.0159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.4716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -0.6269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030   -2.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -2.1269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  2  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62547

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
201

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByAAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGDBUAAAHAAQAAAADAiBGAAwwMBAAACAAiRCQACCAAAgAgAIiAAAZIgIICKAkZGAIABgkAAIyAcQgMAOiAACQAASAAAQAASAACQAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2-dihydroacenaphthylen-5-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1,2-dihydroacenaphthylen-5-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,2-dihydroacenaphthylen-5-amine

> <PUBCHEM_IUPAC_NAME>
1,2-dihydroacenaphthylen-5-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2-dihydroacenaphthylen-5-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acenaphthen-5-ylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H11N/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5,13H2

> <PUBCHEM_IUPAC_INCHIKEY>
JEUAWMJVEYFVNJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.3

> <PUBCHEM_EXACT_MASS>
169.089149355

> <PUBCHEM_MOLECULAR_FORMULA>
C12H11N

> <PUBCHEM_MOLECULAR_WEIGHT>
169.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2=CC=C(C3=CC=CC1=C23)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2=CC=C(C3=CC=CC1=C23)N

> <PUBCHEM_CACTVS_TPSA>
26

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
169.089149355

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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  12  8
11  13  8
2  5  8
2  6  8
2  7  8
5  8  8
6  9  8
7  10  8
7  11  8
8  12  8
9  13  8

$$$$