69458191
  -OEChem-04252423432D

 30 32  0     0  0  0  0  0  0999 V2000
    2.0000    0.7508    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2648    0.1170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0047    1.3771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5047   -0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3707   -0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6387   -0.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3707   -1.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6387   -1.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6957    0.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5047   -2.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3137    0.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0047    1.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6803    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197    2.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9773    0.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2992    1.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9813   -0.7695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5828   -0.0792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4266   -0.0792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0281   -0.7695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5828   -2.2444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9813   -1.5541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0281   -1.5541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4266   -2.2444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1062   -2.6367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9032   -2.6367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3691    1.8786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4955   -0.3981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5181    2.7492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8861    2.4154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 11  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 10  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69458191

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
298

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBAAAAHgIQAAAADgqBmCAwwILAAACIAiVSUACCAAAhBwAIiAEAZogIIDLBl5GEIAhglADIyAcciMCPgABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5'-chlorospiro[cyclohexane-1,3'-indoline]-2'-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-2-spiro[1H-indole-3,1'-cyclohexane]one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chlorospiro[1<I>H</I>-indole-3,1&apos;-cyclohexane]-2-one

> <PUBCHEM_IUPAC_NAME>
5-chlorospiro[1H-indole-3,1'-cyclohexane]-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranylspiro[1H-indole-3,1'-cyclohexane]-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5'-chlorospiro[cyclohexane-1,3'-indoline]-2'-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H14ClNO/c14-9-4-5-11-10(8-9)13(12(16)15-11)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
CWSSFAXMOLXUHI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
235.0763918

> <PUBCHEM_MOLECULAR_FORMULA>
C13H14ClNO

> <PUBCHEM_MOLECULAR_WEIGHT>
235.71

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC2(CC1)C3=C(C=CC(=C3)Cl)NC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC2(CC1)C3=C(C=CC(=C3)Cl)NC2=O

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
235.0763918

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
12  14  8
13  15  8
14  16  8
15  16  8
9  12  8
9  13  8

$$$$