Molecule
ID:109671
General Information
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6,8H,2,7H2,1H3
InChIKey
CFFUTUSXYUPKSJ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)CC=O
Isomeric Smiles
CCOc1ccc(CC=O)cc1
Calculated Properties
JChem
Acid pKa
14.878254
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6515145
LogD (pH = 7.4)
1.6515145
Log P
1.6515145
Molar Refractivity
47.652
Polarizability
18.438099
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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