Chemical ID: 5159087

c1ccc(c(c1)CC#N)NC(=O)CCl
Chemical ID:
5159087
Name [?]:
2-chloro-N-[2-(cyanomethyl)phenyl]-acetamide
SMILES [?]:
c1ccc(c(c1)CC#N)NC(=O)CCl
InChi [?]:
InChI=1/C10H9ClN2O/c11-7-10(14)13-9-4-2-1-3-8(9)5-6-12/h1-4H,5,7H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,13,5,4,11,14,9,10,12/rA:14nCCCCCCCCNNCOCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;t8;s4;s10;d11;s11;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9ClN2O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.546
Area:390.395
Solvation:-3.21387
Coulombic:-22.2512
Bond Count [?]
All:14
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:208.644
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.05
LogP (Chemaxon):1.93

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Descriptor Annotations

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