Molecule

ID:45099

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₃
Molecular Mass
244.28574
Exact Mass
244.10994437
Charge
0
InChI
InChI=1S/C15H16O3/c1-17-14-8-7-13(10-16)15(9-14)18-11-12-5-3-2-4-6-12/h2-9,16H,10-11H2,1H3
InChIKey
BYCLDWGQVPKNON-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)OCc1ccccc1)CO
Isomeric Smiles
c1(c(ccc(c1)OC)CO)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
14.708794
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6150267
LogD (pH = 7.4)
2.6150267
Log P
2.6150267
Molar Refractivity
70.4129
Polarizability
27.408825
Polar Surface Area
38.69
Rotatable Bonds
5
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
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References
Bioactivity
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