Molecule

ID:51941

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O
Molecular Mass
148.20168
Exact Mass
148.088815
Charge
0
InChI
InChI=1S/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H3
InChIKey
AWKBVLVKQQRRFQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C(=O)C)C
Isomeric Smiles
C(=O)(C)c1c(ccc(c1)C)C
Calculated Properties
JChem
Acid pKa
16.222366
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
17.605892
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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