Molecule

ID:52533

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c16-15(17)11-8-12-6-9-14(10-7-12)18-13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,16,17)
InChIKey
XNZKHFWFUASCFO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
C(=O)(CCc1ccc(cc1)Oc1ccccc1)O
Calculated Properties
JChem
Acid pKa
3.8109014
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8641828
LogD (pH = 7.4)
0.2985077
Log P
3.55585
Molar Refractivity
68.2074
Polarizability
26.686575
Polar Surface Area
46.53
Rotatable Bonds
5
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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