Chemical ID: 6354074

c1cc(c(c(c1)Cl)NC(=O)NC2CCCCC2)Cl
Chemical ID:
6354074
Name [?]:
3-cyclohexyl-1-(2,6-dichlorophenyl)-urea
SMILES [?]:
c1cc(c(c(c1)Cl)NC(=O)NC2CCCCC2)Cl
InChi [?]:
InChI=1/C13H16Cl2N2O/c14-10-7-4-8-11(15)12(10)17-13(18)16-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H2,16,17,18)
InChi Info:
AuxInfo=1/1/N:15,14,16,1,13,17,2,6,12,3,5,4,9,18,7,11,8,10/E:(2,3)(5,6)(7,8)(10,11)(14,15)/rA:18nCCCCCCClNCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16Cl2N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.80659
Area:459.055
Solvation:-1.66978
Coulombic:-36.8037
Bond Count [?]
All:19
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:287.184
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.99
LogP (Chemaxon):2.67

Name Annotations

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Descriptor Annotations

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