68463588
  -OEChem-05052416442D

 35 36  0     1  0  0  0  0  0999 V2000
    2.0000   -0.5796    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7688    2.9737    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.5796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.3844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.7749    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3543   -0.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2369    0.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2515    0.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2591    0.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0616    1.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9588    2.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6252   -0.7462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9506   -0.0186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8510    0.2619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2596    0.7963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9807    1.3639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6552    0.6363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.9737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3891    0.9925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6529    0.5163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1292   -0.2199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3324    0.8349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6578    1.5624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6879    2.9450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625    2.2174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 18  1  0  0  0  0
  3  9  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 25  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 10  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
 10 14  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 16  2  0  0  0  0
 13 29  1  0  0  0  0
 14 18  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 17  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68463588

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
310

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByIAAGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADguBmGAywILAAACIAiVSUACCAAAhBwAIiAEAZogIIDLBl5GEIAhglADIyAcciMCPgABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-3-(4-chlorobutyl)-3-ethyl-indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-3-(4-chlorobutyl)-3-ethyl-1H-indol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-3-(4-chlorobutyl)-3-ethyl-1<I>H</I>-indol-2-one

> <PUBCHEM_IUPAC_NAME>
5-chloro-3-(4-chlorobutyl)-3-ethyl-1H-indol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-3-(4-chloranylbutyl)-3-ethyl-1H-indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-3-(4-chlorobutyl)-3-ethyl-oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H17Cl2NO/c1-2-14(7-3-4-8-15)11-9-10(16)5-6-12(11)17-13(14)18/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
NMTYHXPDCSWXFG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
285.0687196

> <PUBCHEM_MOLECULAR_FORMULA>
C14H17Cl2NO

> <PUBCHEM_MOLECULAR_WEIGHT>
286.2

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

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

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
285.0687196

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
11  15  8
13  16  8
15  17  8
16  17  8
5  8  3
7  11  8
7  13  8

$$$$