ChemDB: Chemical Search
Download
Chemical ID: 6677290
Chemical ID:
6677290
Name [?]:
3-(2-chloroethyl)-1-(2,3-dichlorophenyl)-1-methyl-urea
SMILES [?]:
CN(c1cccc(c1Cl)Cl)C(=O)NCCCl
InChi [?]:
InChI=1/C10H11Cl3N2O/c1-15(10(16)14-6-5-11)8-4-2-3-7(12)9(8)13/h2-4H,5-6H2,1H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,15,14,7,3,8,11,16,10,9,13,2,12/rA:16nCNCCCCCCClClCONCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s2;d11;s11;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11Cl3N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35884 |
Area: | 453.027 |
Solvation: | -1.96683 |
Coulombic: | -31.9823 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 281.565 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.07 |
LogP (Chemaxon): | 2.86 |
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 |
---|