Molecule

ID:75566

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O₃
Molecular Mass
238.2381
Exact Mass
238.06299418
Charge
0
InChI
InChI=1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H
InChIKey
GPZYYYGYCRFPBU-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)c(=O)cc(o2)c1ccccc1
Isomeric Smiles
o1c(cc(=O)c2c1ccc(c2)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
9.136983
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6637201
LogD (pH = 7.4)
2.6559827
Log P
2.6638198
Molar Refractivity
68.9521
Polarizability
25.867739
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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