ChemDB: Chemical Search
Download
Chemical ID: 6544280
Chemical ID:
6544280
Name [?]:
3-(3,4-dichlorophenyl)-1-(3-dimethylaminophenyl)-urea
SMILES [?]:
CN(C)c1cccc(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C15H15Cl2N3O/c1-20(2)12-5-3-4-10(8-12)18-15(21)19-11-6-7-13(16)14(17)9-11/h3-9H,1-2H3,(H2,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,6,7,5,15,16,9,19,8,14,4,17,18,11,21,20,10,13,2,12/E:(1,2)/rA:21nCNCCCCCCCNCONCCCCCCClCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15Cl2N3O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6958 |
Area: | 519.71 |
Solvation: | -2.29691 |
Coulombic: | -41.5302 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.205 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.94 |
LogP (Chemaxon): | 4.81 |
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 |
---|