10328
  -OEChem-11242522472D

 18 19  0     0  0  0  0  0  0999 V2000
    4.6783   -0.6077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2157    1.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    1.5687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7228   -0.2177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7228    0.6118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -1.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10328

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
101

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByAAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHAAQAAAADAjBGAQwwILAAACAAiRCQACCAAAhAgAIiIAIZIgIICLAkZGEIAhgkADIyAcQgIAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
indoline

> <PUBCHEM_IUPAC_CAS_NAME>
2,3-dihydro-1H-indole

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,3-dihydro-1<I>H</I>-indole

> <PUBCHEM_IUPAC_NAME>
2,3-dihydro-1H-indole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3-dihydro-1H-indole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
indoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2

> <PUBCHEM_IUPAC_INCHIKEY>
LPAGFVYQRIESJQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.9

> <PUBCHEM_EXACT_MASS>
119.073499291

> <PUBCHEM_MOLECULAR_FORMULA>
C8H9N

> <PUBCHEM_MOLECULAR_WEIGHT>
119.16

> <PUBCHEM_SMILES>
C1CNC2=CC=CC=C21

> <PUBCHEM_CONNECTIVITY_SMILES>
C1CNC2=CC=CC=C21

> <PUBCHEM_CACTVS_TPSA>
12

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
119.073499291

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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>
3  5  8
3  6  8
5  7  8
6  8  8
7  9  8
8  9  8

$$$$
