133605
  -OEChem-04232413092D

 22 23  0     1  0  0  0  0  0999 V2000
    2.5369   -0.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350   -0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290    1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -0.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.1823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.1823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218   -1.3620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218    1.9473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708   -0.5402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708    1.1256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  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 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
133605

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
162

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByAAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHAAQAAAADCjBGAQwAIBAAACAAiBCAACCAAAgAAAIiIAAAIgIICKAkRGAIAAgkAAIiAcQgIAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2-dihydronaphthalen-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
1,2-dihydronaphthalen-2-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,2-dihydronaphthalen-2-amine

> <PUBCHEM_IUPAC_NAME>
1,2-dihydronaphthalen-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2-dihydronaphthalen-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2-dihydronaphthalen-2-ylamine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H11N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-6,10H,7,11H2

> <PUBCHEM_IUPAC_INCHIKEY>
SHLZSYAMFQNEOF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
145.089149355

> <PUBCHEM_MOLECULAR_FORMULA>
C10H11N

> <PUBCHEM_MOLECULAR_WEIGHT>
145.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C=CC2=CC=CC=C21)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(C=CC2=CC=CC=C21)N

> <PUBCHEM_CACTVS_TPSA>
26

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
145.089149355

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
3  1  3
10  11  8
4  5  8
4  8  8
5  9  8
8  10  8
9  11  8

$$$$