Molecule

ID:37290

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂O₃
Molecular Mass
297.1334
Exact Mass
296.00069954
Charge
0
InChI
InChI=1S/C14H10Cl2O3/c15-11-6-5-9(7-12(11)16)8-19-13-4-2-1-3-10(13)14(17)18/h1-7H,8H2,(H,17,18)
InChIKey
JOPAALPMOXKZRI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1OCc1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1cc(c(cc1)OCc1cc(c(cc1)Cl)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.710557
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6171124
LogD (pH = 7.4)
1.1045306
Log P
4.4057198
Molar Refractivity
73.9996
Polarizability
28.581823
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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