Molecule

ID:79919

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c1-18-12-7-8-13(15(17)10-12)14(16)9-11-5-3-2-4-6-11/h2-8,10,17H,9H2,1H3
InChIKey
WYMYJTSWNPZKHM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)O)C(=O)Cc1ccccc1
Isomeric Smiles
O=C(c1ccc(cc1O)OC)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
10.023931
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5539837
LogD (pH = 7.4)
3.5529733
Log P
3.5539966
Molar Refractivity
69.6268
Polarizability
26.777271
Polar Surface Area
46.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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