28468335
  -OEChem-04252405322D

 19 20  0     1  0  0  0  0  0999 V2000
    2.0000    0.5887    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.4113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.2161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.3439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.3934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981    0.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068    0.8328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -1.8054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4616    1.4718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409    1.8054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.2213    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  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  5  4  1  1  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  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 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
28468335

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
209

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADCrBmCQwwILAAACIAiVSUACCAAAhBwAIiIGAZogIYDLB15GUIAhglADIyAcciICOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3R)-3-amino-5-chloro-indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(3R)-3-amino-5-chloro-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>R</I>)-3-amino-5-chloro-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_NAME>
(3R)-3-amino-5-chloro-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3R)-3-azanyl-5-chloranyl-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3R)-3-amino-5-chloro-oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H7ClN2O/c9-4-1-2-6-5(3-4)7(10)8(12)11-6/h1-3,7H,10H2,(H,11,12)/t7-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
FNQAGSCDABCRHM-SSDOTTSWSA-N

> <PUBCHEM_XLOGP3_AA>
0.6

> <PUBCHEM_EXACT_MASS>
182.0246905

> <PUBCHEM_MOLECULAR_FORMULA>
C8H7ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
182.61

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C=C1Cl)[C@H](C(=O)N2)N

> <PUBCHEM_CACTVS_TPSA>
55.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
182.0246905

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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  5
6  7  8
6  9  8
7  10  8
9  11  8

$$$$