Molecule

ID:110499

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O
Molecular Mass
148.20168
Exact Mass
148.088815
Charge
0
InChI
InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey
AKGGYBADQZYZPD-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CCc1ccccc1
Isomeric Smiles
CC(=O)CCc1ccccc1
Calculated Properties
JChem
Acid pKa
19.591545
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3851883
LogD (pH = 7.4)
2.3851883
Log P
2.3851883
Molar Refractivity
45.5177
Polarizability
17.785835
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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