ChemDB: Chemical Search
Download
Chemical ID: 6677263
Chemical ID:
6677263
Name [?]:
1-(4-chlorophenyl)-1-ethyl-3-(4-fluorophenyl)-urea
SMILES [?]:
CCN(c1ccc(cc1)Cl)C(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C15H14ClFN2O/c1-2-19(14-9-3-11(16)4-10-14)15(20)18-13-7-5-12(17)6-8-13/h3-10H,2H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,16,18,15,19,5,9,7,17,14,4,11,10,20,13,3,12/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCNCCCCCCClCONCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s3;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClFN2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.24981 |
Area: | 478.481 |
Solvation: | -2.7122 |
Coulombic: | -34.9439 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 292.736 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.83 |
LogP (Chemaxon): | 4.28 |
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 |
---|