Molecule

ID:75394

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₂O₂
Molecular Mass
267.10742
Exact Mass
265.99013486
Charge
0
InChI
InChI=1S/C13H8Cl2O2/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,16H
InChIKey
OSXVZDOVYCTYCW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(=O)c1ccccc1Cl)O
Isomeric Smiles
O=C(c1c(cccc1)Cl)c1cc(ccc1O)Cl
Calculated Properties
JChem
Acid pKa
7.600191
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.983714
LogD (pH = 7.4)
4.7768054
Log P
4.987123
Molar Refractivity
68.224
Polarizability
26.344349
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation