Molecule

ID:79534

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c1-11(16)15-13(17)8-5-9-14(15)18-10-12-6-3-2-4-7-12/h2-9,17H,10H2,1H3
InChIKey
JLKWVASSCBEYTE-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1c(cccc1O)OCc1ccccc1
Isomeric Smiles
O(c1cccc(c1C(=O)C)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
10.202709
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4441214
LogD (pH = 7.4)
3.4434514
Log P
3.44413
Molar Refractivity
69.5175
Polarizability
26.776915
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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