Molecule

ID:76366

General Information
Structure
Molecular Formula
C₁₃H₁₀O₃
Molecular Mass
214.2167
Exact Mass
214.06299418
Charge
0
InChI
InChI=1S/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChIKey
PKRSYEPBQPFNRB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1Oc1ccccc1
Isomeric Smiles
O(c1ccccc1C(=O)O)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.27
LogD (pH = 5.5)
1.04
Log P
3.13
Rotatable Bonds
3
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
3.40
Polar Surface Area
46.53
Polarizability
21.34
Molar Refractivity
59.56
LOG S
-3.54
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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