Molecule

ID:59638

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₃
Molecular Mass
226.2274
Exact Mass
226.06299418
Charge
0
InChI
InChI=1S/C14H10O3/c1-8-12(15)7-6-10-9-4-2-3-5-11(9)14(16)17-13(8)10/h2-7,15H,1H3
InChIKey
LAVHXGNOROFSCU-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1C)oc(=O)c1c2cccc1
Isomeric Smiles
c12oc(=O)c3c(c1ccc(c2C)O)cccc3
Calculated Properties
JChem
Acid pKa
8.12049
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1341503
LogD (pH = 7.4)
3.060009
Log P
3.1351836
Molar Refractivity
63.9612
Polarizability
25.483896
Polar Surface Area
46.53
Rotatable Bonds
0
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
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References
Bioactivity
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