Chemical ID: 5064485

c1ccc(c(c1)C(CC(=O)O)C(CC(=O)O)c2ccccc2Cl)Cl
Chemical ID:
5064485
Name [?]:
3,4-bis(2-chlorophenyl)hexanedioic acid
SMILES [?]:
c1ccc(c(c1)C(CC(=O)O)C(CC(=O)O)c2ccccc2Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16Cl2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:9.69085
Area:526.212
Solvation:-3.46445
Coulombic:-54.4581
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:367.223
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.01
LogP (Chemaxon):4.55

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue