Chemical ID: 6659069

Cc1c(cccc1Cl)NC(=O)CC(=O)C
Chemical ID:
6659069
Name [?]:
N-(3-chloro-2-methyl-phenyl)-3-oxo-butanamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)CC(=O)C
InChi [?]:
InChI=1/C11H12ClNO2/c1-7(14)6-11(15)13-10-5-3-4-9(12)8(10)2/h3-5H,6H2,1-2H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:15,1,5,6,4,12,13,2,7,3,10,8,9,14,11/rA:15nCCCCCCCClNCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12ClNO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.70165
Area:399.012
Solvation:-4.27366
Coulombic:-24.2847
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:225.671
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.6
LogP (Chemaxon):2.11

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Descriptor Annotations

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