Molecule

ID:37315

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂O₃
Molecular Mass
297.1334
Exact Mass
296.00069954
Charge
0
InChI
InChI=1S/C14H10Cl2O3/c15-10-3-1-2-9(6-10)8-19-13-5-4-11(16)7-12(13)14(17)18/h1-7H,8H2,(H,17,18)
InChIKey
MWKGNWWGIMBMEK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(=O)O)OCc1cccc(c1)Cl
Isomeric Smiles
c1(cc(c(cc1)OCc1cc(ccc1)Cl)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.5107245
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.424358
LogD (pH = 7.4)
1.033565
Log P
4.4057198
Molar Refractivity
73.9996
Polarizability
28.547443
Polar Surface Area
46.53
Rotatable Bonds
4
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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