Chemical ID: 4734315

c1cc(c(c(c1)F)C#N)NC(=O)CCl
Chemical ID:
4734315
Name [?]:
2-chloro-N-(2-cyano-3-fluoro-phenyl)-acetamide
SMILES [?]:
c1cc(c(c(c1)F)C#N)NC(=O)CCl
InChi [?]:
InChI=1/C9H6ClFN2O/c10-4-9(14)13-8-3-1-2-7(11)6(8)5-12/h1-3H,4H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,6,2,13,8,4,5,3,11,14,7,9,10,12/rA:14nCCCCCCFCNNCOCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;t8;s3;s10;d11;s11;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6ClFN2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.01057
Area:373.842
Solvation:-3.33549
Coulombic:-26.5632
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:1.83
LogP (Chemaxon):1.92

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Descriptor Annotations

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