ChemDB: Chemical Search
Download
Chemical ID: 6527093
Chemical ID:
6527093
Name [?]:
1-butyl-3-(4-chlorophenyl)-1-cyclohexyl-urea
SMILES [?]:
CCCCN(C1CCCCC1)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H25ClN2O/c1-2-3-13-20(16-7-5-4-6-8-16)17(21)19-15-11-9-14(18)10-12-15/h9-12,16H,2-8,13H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,8,10,7,11,17,19,16,20,4,18,15,6,12,21,14,5,13/E:(5,6)(7,8)(9,10)(11,12)/rA:21nCCCCNCCCCCCCONCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s6s10;s5;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25ClN2O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7713 |
Area: | 528.377 |
Solvation: | -1.43816 |
Coulombic: | -33.0478 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 308.846 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.86 |
LogP (Chemaxon): | 4.9 |
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 |
---|