68400291
  -OEChem-05032418522D

 20 21  0     0  0  0  0  0  0999 V2000
    2.0000    0.1526    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.6521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    1.6521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.2415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4616    1.0357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3797    2.2415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5804    1.5243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  8  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68400291

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
264

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADArBmCQwwILAAACIAiVWUACCAAAhBwAIiIEAZsgIIDLBl5GEIAhglADIyMcciICOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3E)-3-(aminomethylene)-5-chloro-indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(3E)-3-(aminomethylidene)-5-chloro-1H-indol-2-one

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

> <PUBCHEM_IUPAC_NAME>
(3E)-3-(aminomethylidene)-5-chloro-1H-indol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3E)-3-(azanylmethylidene)-5-chloranyl-1H-indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3E)-3-(aminomethylene)-5-chloro-oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H7ClN2O/c10-5-1-2-8-6(3-5)7(4-11)9(13)12-8/h1-4H,11H2,(H,12,13)/b7-4+

> <PUBCHEM_IUPAC_INCHIKEY>
XNHWLZZAHZPMNH-QPJJXVBHSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
194.0246905

> <PUBCHEM_MOLECULAR_FORMULA>
C9H7ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
194.62

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C=C1Cl)C(=CN)C(=O)N2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C=C1Cl)/C(=C\N)/C(=O)N2

> <PUBCHEM_CACTVS_TPSA>
55.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
194.0246905

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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  12  8
11  12  8
5  6  8
5  9  8
6  10  8
9  11  8

$$$$