Molecule

ID:121796

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O
Molecular Mass
160.21238
Exact Mass
160.088815
Charge
0
InChI
InChI=1S/C11H12O/c1-8(12)10-7-11(10)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3
InChIKey
LFKRVDCVJRDOBG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C1CC1c1ccccc1
Isomeric Smiles
C1(C(C1)c1ccccc1)C(=O)C
Calculated Properties
JChem
Acid pKa
19.38014
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.306899
LogD (pH = 7.4)
2.306899
Log P
2.306899
Molar Refractivity
48.2376
Polarizability
18.89258
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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