Chemical ID: 6353122

c1cc(ccc1NC(=O)Nc2cc(ccc2Cl)Cl)Cl
Chemical ID:
6353122
Name [?]:
1-(4-chlorophenyl)-3-(2,5-dichlorophenyl)-urea
SMILES [?]:
c1cc(ccc1NC(=O)Nc2cc(ccc2Cl)Cl)Cl
InChi [?]:
InChI=1/C13H9Cl3N2O/c14-8-1-4-10(5-2-8)17-13(19)18-12-7-9(15)3-6-11(12)16/h1-7H,(H2,17,18,19)
InChi Info:
AuxInfo=1/1/N:2,4,14,1,5,15,12,3,13,6,16,11,8,19,18,17,7,10,9/E:(1,2)(4,5)/rA:19nCCCCCCNCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s13;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9Cl3N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.7328
Area:492.294
Solvation:-1.57458
Coulombic:-36.7092
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

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