68466544
  -OEChem-05132401432D

 32 33  0     1  0  0  0  0  0999 V2000
    6.9588    2.6805    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2864    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.2864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.0912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.4817    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3543    0.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2369    0.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2515    1.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2591    0.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0616    1.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6252   -0.4530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9506    0.2746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8510    0.5551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2596    1.0895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9807    1.6571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6552    0.9295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.6805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3891    1.2857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6529    0.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292    0.0733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3324    1.1281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6578    1.8556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.0964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  2  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 17  2  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68466544

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
297

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADguBmGAywILAAACIAiVSUACCAAAhBwAIiAEAZogIIDLBl5GEIAhglADIyAcciMCPgABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-3-(3-chloropropyl)-3-ethyl-indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-3-(3-chloropropyl)-3-ethyl-1H-indol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-3-(3-chloropropyl)-3-ethyl-1<I>H</I>-indol-2-one

> <PUBCHEM_IUPAC_NAME>
5-chloro-3-(3-chloropropyl)-3-ethyl-1H-indol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-3-(3-chloranylpropyl)-3-ethyl-1H-indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-3-(3-chloropropyl)-3-ethyl-oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H15Cl2NO/c1-2-13(6-3-7-14)10-8-9(15)4-5-11(10)16-12(13)17/h4-5,8H,2-3,6-7H2,1H3,(H,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
SPPDLCLLHMDHJA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
271.0530695

> <PUBCHEM_MOLECULAR_FORMULA>
C13H15Cl2NO

> <PUBCHEM_MOLECULAR_WEIGHT>
272.17

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1(C2=C(C=CC(=C2)Cl)NC1=O)CCCCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1(C2=C(C=CC(=C2)Cl)NC1=O)CCCCl

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
271.0530695

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  14  8
12  16  8
14  17  8
16  17  8
5  8  3
7  10  8
7  12  8

$$$$