Molecule

ID:109529

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O
Molecular Mass
148.20168
Exact Mass
148.088815
Charge
0
InChI
InChI=1S/C10H12O/c1-3-10(11)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKey
QHVNQIJBHWOZRJ-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)c1cccc(c1)C
Isomeric Smiles
CCC(=O)c1cccc(C)c1
Calculated Properties
JChem
Acid pKa
16.71232
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7448506
LogD (pH = 7.4)
2.7448506
Log P
2.7448506
Molar Refractivity
46.1289
Polarizability
17.685133
Polar Surface Area
17.07
Rotatable Bonds
2
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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