Molecule

ID:110259

General Information
Structure
Molecular Formula
C₁₀H₁₂O
Molecular Mass
148.20168
Exact Mass
148.088815
Charge
0
InChI
InChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey
GKDLTXYXODKDEA-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)Cc1ccccc1
Isomeric Smiles
CCC(=O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
15.780754
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6411555
LogD (pH = 7.4)
2.6411555
Log P
2.6411555
Molar Refractivity
45.5436
Polarizability
17.784786
Polar Surface Area
17.07
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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