ChemDB: Chemical Search
Download
Chemical ID: 6354074
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|