Chemical ID: 6157954

c1cc(c(cc1NC(=O)COc2ccc(cc2Cl)Cl)Cl)C#N
Chemical ID:
6157954
Name [?]:
N-(3-chloro-4-cyano-phenyl)-2-(2,4-dichlorophenoxy)-acetamide
SMILES [?]:
c1cc(c(cc1NC(=O)COc2ccc(cc2Cl)Cl)Cl)C#N
InChi [?]:
InChI=1/C15H9Cl3N2O2/c16-10-2-4-14(13(18)5-10)22-8-15(21)20-11-3-1-9(7-19)12(17)6-11/h1-6H,8H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:2,14,1,13,16,5,21,10,3,15,6,4,17,12,8,19,20,18,22,7,9,11/rA:22nCCCCCCNCOCOCCCCCCClClClCN/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s4;s3;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9Cl3N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.11229
Area:558.27
Solvation:-4.84446
Coulombic:-31.5218
Bond Count [?]
All:23
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:355.602
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.26
LogP (Chemaxon):4.24

Name Annotations

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Descriptor Annotations

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