Chemical ID: 6320962

Cc1c(cccc1Cl)NC(=O)C=C
Chemical ID:
6320962
Name [?]:
N-(3-chloro-2-methyl-phenyl)prop-2-enamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)C=C
InChi [?]:
InChI=1/C10H10ClNO/c1-3-10(13)12-9-6-4-5-8(11)7(9)2/h3-6H,1H2,2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:13,1,12,5,6,4,2,7,3,10,8,9,11/rA:13nCCCCCCCClNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10ClNO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.53241
Area:363.856
Solvation:-1.564
Coulombic:-23.0247
Bond Count [?]
All:13
Single:8
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:195.645
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.42
LogP (Chemaxon):2.46

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