ChemDB: Chemical Search
Download
Chemical ID: 6664186
Chemical ID:
6664186
Name [?]:
(2,5-dichloro-4-hydroxy-phenyl)-(2,6-dichlorophenyl)-methanone
SMILES [?]:
c1cc(c(c(c1)Cl)C(=O)c2cc(c(cc2Cl)O)Cl)Cl
InChi [?]:
InChI=1/C13H6Cl4O2/c14-7-2-1-3-8(15)12(7)13(19)6-4-10(17)11(18)5-9(6)16/h1-5,18H
InChi Info:
AuxInfo=1/0/N:1,2,6,11,14,10,3,5,15,12,13,4,8,19,7,16,18,17,9/E:(2,3)(7,8)(14,15)/rA:19nCCCCCCClCOCCCCCCClOClCl/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s8;s10;d11;s12;d13;d10s14;s15;s13;s12;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H6Cl4O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.89579 |
Area: | 475.783 |
Solvation: | -2.9988 |
Coulombic: | -25.6725 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 335.996 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.66 |
LogP (Chemaxon): | 5.06 |
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 |
---|