Molecule

ID:8342

General Information
Structure
Molecular Formula
C₁₀H₁₂O
Molecular Mass
148.20168
Exact Mass
148.088815
Charge
0
InChI
InChI=1S/C10H12O/c1-8-3-5-10(6-4-8)7-9(2)11/h3-6H,7H2,1-2H3
InChIKey
NOXKUHSBIXPZBJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Cc1ccc(cc1)C
Isomeric Smiles
c1c(ccc(c1)CC(=O)C)C
Calculated Properties
JChem
Acid pKa
16.072807
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.454041
LogD (pH = 7.4)
2.454041
Log P
2.454041
Molar Refractivity
45.9579
Polarizability
17.704569
Polar Surface Area
17.07
Rotatable Bonds
2
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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