Chemical ID: 7245551

CC1c2cc(ccc2NC1=O)C(=O)CCl
Chemical ID:
7245551
Name [?]:
5-(2-chloroacetyl)-3-methyl-indolin-2-one
SMILES [?]:
CC1c2cc(ccc2NC1=O)C(=O)CCl
InChi [?]:
InChI=1/C11H10ClNO2/c1-6-8-4-7(10(14)5-12)2-3-9(8)13-11(6)15/h2-4,6H,5H2,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,6,7,4,14,2,5,3,8,12,10,15,9,13,11/rA:15cCCCCCCCCNCOCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s5;d12;s12;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10ClNO2
All Atoms:25
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:6.3108
Area:391.637
Solvation:-3.48012
Coulombic:-27.322
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:223.655
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.07
LogP (Chemaxon):1.63

Name Annotations

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Descriptor Annotations

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