Molecule

ID:69126

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₃
Molecular Mass
256.29644
Exact Mass
256.10994437
Charge
0
InChI
InChI=1S/C16H16O3/c1-12(17)14-8-9-15(16(10-14)18-2)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKey
HRUAWSQBQLYDKH-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OCc1ccccc1)C(=O)C
Isomeric Smiles
C(=O)(C)c1cc(c(cc1)OCc1ccccc1)OC
Calculated Properties
JChem
Acid pKa
16.137428
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.940024
LogD (pH = 7.4)
2.940024
Log P
2.940024
Molar Refractivity
73.9998
Polarizability
28.689602
Polar Surface Area
35.53
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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