Molecule

ID:37323

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃ClO₃
Molecular Mass
276.71492
Exact Mass
276.05532196
Charge
0
InChI
InChI=1S/C15H13ClO3/c1-10-3-2-4-11(7-10)9-19-14-6-5-12(16)8-13(14)15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKey
WFXZGELNRDMYOZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(=O)O)OCc1cccc(c1)C
Isomeric Smiles
c1(cc(c(cc1)OCc1cc(ccc1)C)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.5107257
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3337357
LogD (pH = 7.4)
0.9429421
Log P
4.315097
Molar Refractivity
74.236
Polarizability
28.397886
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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