Molecule

ID:44193

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₃
Molecular Mass
240.25398
Exact Mass
240.07864424
Charge
0
InChI
InChI=1S/C15H12O3/c16-15(17)10-9-12-5-4-8-14(11-12)18-13-6-2-1-3-7-13/h1-11H,(H,16,17)/b10-9+
InChIKey
RYTBBLWPDBZDHT-MDZDMXLPSA-N
Canonic Smiles
OC(=O)/C=C/c1cccc(c1)Oc1ccccc1
Isomeric Smiles
C(=O)(/C=C/c1cc(Oc2ccccc2)ccc1)O
Calculated Properties
JChem
Acid pKa
3.7821336
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9169201
LogD (pH = 7.4)
0.36587703
Log P
3.6363735
Molar Refractivity
69.3007
Polarizability
26.519829
Polar Surface Area
46.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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