Chemical ID: 3991225

c1cc(c(cc1C(F)(F)F)NC(=O)CC#N)Cl
Chemical ID:
3991225
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-nitrido-propanamide
SMILES [?]:
c1cc(c(cc1C(F)(F)F)NC(=O)CC#N)Cl
InChi [?]:
InChI=1/C10H6ClF3N2O/c11-7-2-1-6(10(12,13)14)5-8(7)16-9(17)3-4-15/h1-2,5H,3H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,5,6,3,4,12,7,17,8,9,10,16,11,13/E:(12,13,14)/rA:17nCCCCCCCFFFNCOCCNCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;s11;d12;s12;s14;t15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6ClF3N2O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.46007
Area:410.499
Solvation:-3.8024
Coulombic:-39.8395
Bond Count [?]
All:17
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:262.615
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.14
LogP (Chemaxon):2.32

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