Molecule

ID:84121

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O₃
Molecular Mass
238.2381
Exact Mass
238.06299418
Charge
0
InChI
InChI=1S/C15H10O3/c16-11-6-7-12-13(10-4-2-1-3-5-10)9-15(17)18-14(12)8-11/h1-9,16H
InChIKey
IVJMJRRORVMRJJ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)oc(=O)cc2c1ccccc1
Isomeric Smiles
o1c(=O)cc(c2c1cc(cc2)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
7.7182965
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9103904
LogD (pH = 7.4)
2.7439086
Log P
2.912993
Molar Refractivity
77.0822
Polarizability
25.884212
Polar Surface Area
46.53
Rotatable Bonds
1
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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