Molecule

ID:39784

General Information
Structure
Molecular Formula
C₁₄H₁₂O₃
Molecular Mass
228.24328
Exact Mass
228.07864424
Charge
0
InChI
InChI=1S/C14H12O3/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2,(H,15,16)
InChIKey
GRBUVHSYBRTCIB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)COc1ccccc1
Isomeric Smiles
C(=O)(c1ccc(COc2ccccc2)cc1)O
Calculated Properties
JChem
Acid pKa
4.0630126
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7485443
LogD (pH = 7.4)
0.075810485
Log P
3.1976306
Molar Refractivity
64.39
Polarizability
24.75559
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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