68467066
  -OEChem-05112407072D

 23 24  0     1  0  0  0  0  0999 V2000
    2.0000    0.7163    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.2837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.0884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.5210    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    0.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    1.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068    0.9604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344    2.0912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411    1.5589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -1.6778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9613    1.0711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4401    1.8056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7056    2.2844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  8  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68467066

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
219

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADQqBmCAywILAAACIAiVSUACCAAAhBwAIiAEAZogIIDLBl5GEIAhglADIyAcciMCOgABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-3-ethyl-indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-3-ethyl-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-3-ethyl-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_NAME>
5-chloro-3-ethyl-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-3-ethyl-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-3-ethyl-oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H10ClNO/c1-2-7-8-5-6(11)3-4-9(8)12-10(7)13/h3-5,7H,2H2,1H3,(H,12,13)

> <PUBCHEM_IUPAC_INCHIKEY>
FRCQDVQBKBEJKN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
195.0450916

> <PUBCHEM_MOLECULAR_FORMULA>
C10H10ClNO

> <PUBCHEM_MOLECULAR_WEIGHT>
195.64

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1C2=C(C=CC(=C2)Cl)NC1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1C2=C(C=CC(=C2)Cl)NC1=O

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
195.0450916

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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  13  8
12  13  8
4  6  3
5  7  8
5  9  8
7  11  8
9  12  8

$$$$