Molecule

ID:52421

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H3
InChIKey
YJFNFQHMQJCPRG-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)C(=O)C
Isomeric Smiles
C(=O)(C)c1ccc(cc1)OCC
Calculated Properties
JChem
Acid pKa
16.27635
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7300301
LogD (pH = 7.4)
1.7300301
Log P
1.7300301
Molar Refractivity
47.6726
Polarizability
18.419031
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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