Molecule

ID:108216

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c1-18-14(16)15(17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,17H,1H3
InChIKey
LJFIHTFNTGQZJL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccccc1)(c1ccccc1)O
Isomeric Smiles
COC(=O)C(O)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
11.0519285
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.70344
LogD (pH = 7.4)
2.7033443
Log P
2.7034411
Molar Refractivity
68.2512
Polarizability
26.815481
Polar Surface Area
46.53
Rotatable Bonds
4
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
References
Bioactivity
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