Molecule

ID:83609

General Information
Structure
Molecular Formula
C₂₀H₁₄O₃
Molecular Mass
302.32336
Exact Mass
302.09429431
Charge
0
InChI
InChI=1S/C20H14O3/c21-16-10-9-13-7-4-8-14-17(13)18(16)20(23)15(19(14)22)11-12-5-2-1-3-6-12/h1-10,21-22H,11H2
InChIKey
VXCOOYTTWJLFDD-UHFFFAOYSA-N
Canonic Smiles
OC1=C(Cc2ccccc2)C(=O)c2c3c1cccc3ccc2O
Isomeric Smiles
O=C1C(=C(c2c3c1c(ccc3ccc2)O)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
7.565342
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.4696527
LogD (pH = 7.4)
4.2475553
Log P
4.473367
Molar Refractivity
90.1955
Polarizability
35.209557
Polar Surface Area
57.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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