45926120
  -OEChem-05072408432D

 25 26  0     1  0  0  0  0  0999 V2000
    2.0000    0.0103    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.7944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.9223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.1850    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068    0.2544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344    1.3852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411    0.8529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.3838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540    0.3521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4473    0.8844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7508    2.0502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301    2.3838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  9  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4 10  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  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
M  END
> <PUBCHEM_COMPOUND_CID>
45926120

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
234

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADQrBmCQwwILAAACIAiVSUACCAAAhBwAIiIEAZogIIDLBl5GEIAhglADIyAcciMCOgABAIAACAAAAAIBAAAQAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(2-aminoethyl)-5-chloro-1,3-dihydroindol-2-one

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2-aminoethyl)-5-chloro-oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H11ClN2O/c11-6-1-2-9-8(5-6)7(3-4-12)10(14)13-9/h1-2,5,7H,3-4,12H2,(H,13,14)

> <PUBCHEM_IUPAC_INCHIKEY>
GBOVZHSRGUTWQT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
210.0559907

> <PUBCHEM_MOLECULAR_FORMULA>
C10H11ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
210.66

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C=C1Cl)C(C(=O)N2)CCN

> <PUBCHEM_CACTVS_TPSA>
55.1

> <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>
11  13  8
12  14  8
13  14  8
5  7  3
6  11  8
6  8  8
8  12  8

$$$$