21914136
  -OEChem-04252407172D

 22 23  0     1  0  0  0  0  0999 V2000
    2.0000    0.9955    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.8705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.8092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    0.8616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.0045    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5443    0.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4096   -0.5568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    1.1095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933    1.3672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -1.3985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.8145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2479    0.8616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    1.3985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 10  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  1  0  0  0  0
  4 10  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
21914136

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
222

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADCrBmCQwwILAAACIAiVSUACCAAAhBwAIiIGIZogIYDLBk7GUIAhgkADIyAcYiYCeAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloroindoline-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-2,3-dihydro-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-2,3-dihydro-1<I>H</I>-indole-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-chloro-2,3-dihydro-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-2,3-dihydro-1H-indole-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloroindoline-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H9ClN2O/c10-6-1-2-7-5(3-6)4-8(12-7)9(11)13/h1-3,8,12H,4H2,(H2,11,13)

> <PUBCHEM_IUPAC_INCHIKEY>
UPOCGFLEJCOZRC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
196.0403406

> <PUBCHEM_MOLECULAR_FORMULA>
C9H9ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
196.63

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(NC2=C1C=C(C=C2)Cl)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(NC2=C1C=C(C=C2)Cl)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
55.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
196.0403406

> <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
5  10  3
7  8  8
7  9  8
8  11  8
9  12  8

$$$$