Molecule

ID:112478

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂O₃
Molecular Mass
297.1334
Exact Mass
296.00069954
Charge
0
InChI
InChI=1S/C14H10Cl2O3/c15-11-7-3-1-5-9(11)14(19,13(17)18)10-6-2-4-8-12(10)16/h1-8,19H,(H,17,18)
InChIKey
OJYHUFNZIWRMPT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccccc1Cl)(c1ccccc1Cl)O
Isomeric Smiles
OC(=O)C(O)(c1ccccc1Cl)c1ccccc1Cl
Calculated Properties
JChem
Acid pKa
3.1720018
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.4620875
LogD (pH = 7.4)
0.31539145
Log P
3.7656364
Molar Refractivity
73.0917
Polarizability
28.525856
Polar Surface Area
57.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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