Chemical ID: 6362135

c1cc(c(cc1Cl)F)NC(=O)CC#N
Chemical ID:
6362135
Name [?]:
N-(4-chloro-2-fluoro-phenyl)-3-nitrido-propanamide
SMILES [?]:
c1cc(c(cc1Cl)F)NC(=O)CC#N
InChi [?]:
InChI=1/C9H6ClFN2O/c10-6-1-2-8(7(11)5-6)13-9(14)3-4-12/h1-2,5H,3H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,5,6,4,3,10,7,8,14,9,11/rA:14nCCCCCCClFNCOCCN/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;t13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6ClFN2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.91985
Area:377.923
Solvation:-3.52821
Coulombic:-25.3497
Bond Count [?]
All:14
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:212.608
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.38
LogP (Chemaxon):1.58

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