17933682
  -OEChem-05032418262D

 21 22  0     1  0  0  0  0  0999 V2000
    2.0000    1.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5443    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4096   -0.5523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933    1.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933   -1.3716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817   -1.1140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4379   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4379    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
17933682

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
149

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByAQAAAAAAAAAAAAAAAAAAAYAAAAAwAAAAAAAAAGABAAAAHQAQAAAADCjBGAwwAIBAAACAAiBCAAACAAAgAAAIiIAAAIgIICKAkRGAIAAgkAAIiAcQgIAOgAAAAAAQAAAAAAAAACAAACAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-fluoroindan-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
5-fluoro-2,3-dihydro-1H-inden-2-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-fluoro-2,3-dihydro-1<I>H</I>-inden-2-amine

> <PUBCHEM_IUPAC_NAME>
5-fluoro-2,3-dihydro-1H-inden-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-fluoranyl-2,3-dihydro-1H-inden-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5-fluoroindan-2-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H10FN/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9H,4-5,11H2

> <PUBCHEM_IUPAC_INCHIKEY>
VAAFFDVGGMHGHW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.4

> <PUBCHEM_EXACT_MASS>
151.079727485

> <PUBCHEM_MOLECULAR_FORMULA>
C9H10FN

> <PUBCHEM_MOLECULAR_WEIGHT>
151.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(CC2=C1C=CC(=C2)F)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(CC2=C1C=CC(=C2)F)N

> <PUBCHEM_CACTVS_TPSA>
26

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
151.079727485

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

$$$$