Molecule

ID:37299

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂O₃
Molecular Mass
297.1334
Exact Mass
296.00069954
Charge
0
InChI
InChI=1S/C14H10Cl2O3/c15-12-5-2-6-13(16)11(12)8-19-10-4-1-3-9(7-10)14(17)18/h1-7H,8H2,(H,17,18)
InChIKey
QCDANUTVEPGEOV-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1COc1cccc(c1)C(=O)O)Cl
Isomeric Smiles
c1(cc(ccc1)C(=O)O)OCc1c(cccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
3.8372796
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7395215
LogD (pH = 7.4)
1.1608553
Log P
4.4057198
Molar Refractivity
73.9996
Polarizability
28.563257
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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