Molecule

ID:54232

General Information
Structure
Molecular Formula
C₁₀H₁₀O
Molecular Mass
146.1858
Exact Mass
146.07316494
Charge
0
InChI
InChI=1S/C10H10O/c1-7-6-8-4-2-3-5-9(8)10(7)11/h2-5,7H,6H2,1H3
InChIKey
BEKNOGMQVKBMQN-UHFFFAOYSA-N
Canonic Smiles
O=C1C(C)Cc2c1cccc2
Isomeric Smiles
c12c(C(=O)C(C1)C)cccc2
Calculated Properties
JChem
Acid pKa
16.72105
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3795424
LogD (pH = 7.4)
2.3795424
Log P
2.3795424
Molar Refractivity
44.3002
Polarizability
17.023872
Polar Surface Area
17.07
Rotatable Bonds
0
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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