Molecule

ID:33655

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O
Molecular Mass
148.20168
Exact Mass
148.088815
Charge
0
InChI
InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3
InChIKey
WPRAXAOJIODQJR-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(c(c1)C)C
Isomeric Smiles
c1(cc(c(cc1)C)C)C(=O)C
Calculated Properties
JChem
Acid pKa
16.263882
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5577362
LogD (pH = 7.4)
2.5577362
Log P
2.5577362
Molar Refractivity
46.5432
Polarizability
17.605307
Polar Surface Area
17.07
Rotatable Bonds
1
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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