Molecule

ID:37337

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂O₃
Molecular Mass
297.1334
Exact Mass
296.00069954
Charge
0
InChI
InChI=1S/C14H10Cl2O3/c15-11-4-1-10(13(16)7-11)8-19-12-5-2-9(3-6-12)14(17)18/h1-7H,8H2,(H,17,18)
InChIKey
OPMMDDYNUAUCBU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)COc1ccc(cc1)C(=O)O
Isomeric Smiles
c1cc(ccc1OCc1c(cc(cc1)Cl)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
4.356255
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2336357
LogD (pH = 7.4)
1.4843869
Log P
4.4057198
Molar Refractivity
73.9996
Polarizability
28.55682
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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