Chemical ID: 4101648

c1ccc(c(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl
Chemical ID:
4101648
Name [?]:
1-(2-chlorophenyl)-3-(3,4-dichlorophenyl)-urea
SMILES [?]:
c1ccc(c(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl
InChi [?]:
InChI=1/C13H9Cl3N2O/c14-9-6-5-8(7-11(9)16)17-13(19)18-12-4-2-1-3-10(12)15/h1-7H,(H2,17,18,19)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,12,13,16,11,14,4,15,5,8,18,19,17,10,7,9/rA:19nCCCCCCNCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9Cl3N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.5336
Area:484.968
Solvation:-1.59063
Coulombic:-36.9419
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:315.582
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.35
LogP (Chemaxon):4.41

Name Annotations

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Descriptor Annotations

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