ChemDB: Chemical Search
Download
Chemical ID: 6666229
Chemical ID:
6666229
Name [?]:
1-ethyl-3-(m-tolyl)urea
SMILES [?]:
CCNC(=O)Nc1cccc(c1)C
InChi [?]:
InChI=1/C10H14N2O/c1-3-11-10(13)12-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,2,9,10,8,12,11,7,4,3,6,5/rA:13nCCNCONCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.52906 |
Area: | 365.683 |
Solvation: | -1.613 |
Coulombic: | -35.2161 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 178.231 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.78 |
LogP (Chemaxon): | 2.16 |
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 |
---|