Molecule

ID:40052

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₃
Molecular Mass
240.25398
Exact Mass
240.07864424
Charge
0
InChI
InChI=1S/C15H12O3/c16-15(17)11-10-12-6-4-5-9-14(12)18-13-7-2-1-3-8-13/h1-11H,(H,16,17)/b11-10+
InChIKey
SDXHWGNPWXDXTC-ZHACJKMWSA-N
Canonic Smiles
OC(=O)/C=C/c1ccccc1Oc1ccccc1
Isomeric Smiles
C(=C\C(=O)O)/c1c(Oc2ccccc2)cccc1
Calculated Properties
JChem
Acid pKa
3.9458551
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0748436
LogD (pH = 7.4)
0.44707555
Log P
3.6363735
Molar Refractivity
69.3007
Polarizability
26.521439
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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