70222393
  -OEChem-04232421042D

 25 26  0     1  0  0  0  0  0999 V2000
    2.0000    0.2410    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5013    0.4582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.5637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.9963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.0458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1279   -0.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    2.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068    0.4851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888   -1.1737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888   -0.3442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409    1.4578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.5690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7334    1.9604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3367    2.7424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5548    2.3456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 13  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70222393

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
234

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADCrBmCQywILAAACIAiVSUACCAAAhBwAIiIAIZogIYCLB05GUIAhglgDIyAcQgIAOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(5-chloroindolin-3-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(5-chloro-2,3-dihydro-1<I>H</I>-indol-3-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(5-chloranyl-2,3-dihydro-1H-indol-3-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(5-chloroindolin-3-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H11ClN2O/c1-6(14)13-10-5-12-9-3-2-7(11)4-8(9)10/h2-4,10,12H,5H2,1H3,(H,13,14)

> <PUBCHEM_IUPAC_INCHIKEY>
BCZBMSDJWKARBP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
210.0559907

> <PUBCHEM_MOLECULAR_FORMULA>
C10H11ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
210.66

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1CNC2=C1C=C(C=C2)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC1CNC2=C1C=C(C=C2)Cl

> <PUBCHEM_CACTVS_TPSA>
41.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
210.0559907

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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  12  8
11  12  8
5  4  3
7  8  8
7  9  8
8  10  8
9  11  8

$$$$