Molecule

ID:42744

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₂O₂
Molecular Mass
267.10742
Exact Mass
265.99013486
Charge
0
InChI
InChI=1S/C13H8Cl2O2/c14-11-6-5-10(7-12(11)15)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)
InChIKey
NVYOOVLWXDVFAA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
C(=O)(c1ccc(c2cc(c(cc2)Cl)Cl)cc1)O
Calculated Properties
JChem
Acid pKa
4.067071
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0409396
LogD (pH = 7.4)
1.3667978
Log P
4.4861436
Molar Refractivity
68.06
Polarizability
27.35536
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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