45926119
  -OEChem-05142406542D

 27 27  0     1  0  0  0  0  0999 V2000
    0.0000    2.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3754    6.9903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1279    1.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5443    0.8153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1441    4.5320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5443    2.4247    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5981    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8550    3.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1279    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8335    3.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1068    2.8641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8344    3.9949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411    3.4626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7369    0.2259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.9618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4473    3.4941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3291    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7508    4.6598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7301    4.9935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3754    6.9903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 27  1  0  0  0  0
  3 10  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 19  1  0  0  0  0
  5 11  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
 11 20  1  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 15  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
45926119

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
234

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADQrBmCQwwILAAACIAiVSUACCAAAhBwAIiIEAZogIIDLBl5GEIAhglADIyAcciMCOgABAIAACAAAAAIBAAAQAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H11ClN2O.ClH/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);1H

> <PUBCHEM_IUPAC_INCHIKEY>
WQYUOZRMFWXBHF-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
246.0326684

> <PUBCHEM_MOLECULAR_FORMULA>
C10H12Cl2N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
247.12

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

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

> <PUBCHEM_CACTVS_TPSA>
55.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
246.0326684

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  14  8
13  15  8
14  15  8
6  8  3
7  12  8
7  9  8
9  13  8

$$$$