Molecule

ID:110833

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey
QWAVNXZAQASOML-UHFFFAOYSA-N
Canonic Smiles
CC(=O)COc1ccccc1
Isomeric Smiles
CC(=O)COc1ccccc1
Calculated Properties
JChem
Acid pKa
18.274904
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6231834
LogD (pH = 7.4)
1.6231834
Log P
1.6231834
Molar Refractivity
42.1569
Polarizability
16.599012
Polar Surface Area
26.3
Rotatable Bonds
3
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
References
Bioactivity
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