ChemDB: Chemical Search
Download
Chemical ID: 6656197
Chemical ID:
6656197
Name [?]:
3-(4-isopropylphenyl)-1,1-dimethyl-urea
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)N(C)C
InChi [?]:
InChI=1/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,14,15,5,9,6,8,2,4,7,11,10,13,12/E:(1,2)(3,4)(5,6)(7,8)/rA:15nCCCCCCCCCNCONCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.37155 |
Area: | 400.83 |
Solvation: | -1.6492 |
Coulombic: | -31.2522 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 206.284 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.46 |
LogP (Chemaxon): | 2.79 |
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 |
---|