Molecule

ID:61317

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O₃
Molecular Mass
238.2381
Exact Mass
238.06299418
Charge
0
InChI
InChI=1S/C15H10O3/c16-11-6-7-12-14(8-11)18-9-13(15(12)17)10-4-2-1-3-5-10/h1-9,16H
InChIKey
WMKOZARWBMFKAS-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)occ(c2=O)c1ccccc1
Isomeric Smiles
c1(c(=O)c2c(oc1)cc(cc2)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
6.4780893
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9908895
LogD (pH = 7.4)
2.0875037
Log P
3.034003
Molar Refractivity
67.7211
Polarizability
25.869223
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
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References
Bioactivity
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