Molecule

ID:40525

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀O₃
Molecular Mass
214.2167
Exact Mass
214.06299418
Charge
0
InChI
InChI=1S/C13H10O3/c14-13(15)12-7-10-9-4-2-1-3-8(9)5-6-11(10)16-12/h1-6,12H,7H2,(H,14,15)
InChIKey
VYFGHUAUIIFACL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1Oc2c(C1)c1ccccc1cc2
Isomeric Smiles
c12c(OC(C1)C(=O)O)ccc1c2cccc1
Calculated Properties
JChem
Acid pKa
3.8403625
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.87165684
LogD (pH = 7.4)
-0.7085009
Log P
2.5348794
Molar Refractivity
58.1109
Polarizability
23.80838
Polar Surface Area
46.53
Rotatable Bonds
1
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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