ChemDB: Chemical Search
Download
Chemical ID: 5174582
Chemical ID:
5174582
Name [?]:
1-(4-ethylcyclohexyl)-3-methyl-urea
SMILES [?]:
CCC1CCC(CC1)NC(=O)NC
InChi [?]:
InChI=1/C10H20N2O/c1-3-8-4-6-9(7-5-8)12-10(13)11-2/h8-9H,3-7H2,1-2H3,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,2,4,8,5,7,3,6,10,12,9,11/E:(4,5)(6,7)/rA:13nCCCCCCCCNCONC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H20N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.98532 |
Area: | 372.282 |
Solvation: | -1.32173 |
Coulombic: | -35.966 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 184.279 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.26 |
LogP (Chemaxon): | 1.5 |
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 |
---|