Molecule

ID:80524

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀O₃
Molecular Mass
214.2167
Exact Mass
214.06299418
Charge
0
InChI
InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H
InChIKey
ZXDDPOHVAMWLBH-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)O)C(=O)c1ccccc1
Isomeric Smiles
O=C(c1ccc(cc1O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
7.085265
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.4644053
LogD (pH = 7.4)
2.9821281
Log P
3.4754682
Molar Refractivity
60.5953
Polarizability
23.182945
Polar Surface Area
57.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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