Molecule

ID:80364

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀O
Molecular Mass
192.2973
Exact Mass
192.15141526
Charge
0
InChI
InChI=1S/C13H20O/c1-12(2,10-13(3,4)14)11-8-6-5-7-9-11/h5-9,14H,10H2,1-4H3
InChIKey
KQSZRLQXRKZELT-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)(CC(O)(C)C)C
Isomeric Smiles
OC(CC(c1ccccc1)(C)C)(C)C
Calculated Properties
JChem
Acid pKa
15.367932
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2233438
LogD (pH = 7.4)
3.2233438
Log P
3.2233438
Molar Refractivity
60.3106
Polarizability
23.796423
Polar Surface Area
20.23
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
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References
Bioactivity
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