Chemical ID: 4943396

Cc1cccc(c1Cl)NC(=O)CC#N
Chemical ID:
4943396
Name [?]:
N-(2-chloro-3-methyl-phenyl)-3-nitrido-propanamide
SMILES [?]:
Cc1cccc(c1Cl)NC(=O)CC#N
InChi [?]:
InChI=1/C10H9ClN2O/c1-7-3-2-4-8(10(7)11)13-9(14)5-6-12/h2-4H,5H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,12,13,2,6,10,7,8,14,9,11/rA:14nCCCCCCCClNCOCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;t13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9ClN2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.7164
Area:382.299
Solvation:-2.84108
Coulombic:-22.286
Bond Count [?]
All:14
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:208.644
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.45
LogP (Chemaxon):1.9

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Descriptor Annotations

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