Molecule

ID:130582

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀O
Molecular Mass
168.2759
Exact Mass
168.15141526
Charge
0
InChI
InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10-,11-/m1/s1
InChIKey
LFYXNXGVLGKVCJ-FBIMIBRVSA-N
Canonic Smiles
C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O
Isomeric Smiles
C[C@@]12CC[C@@H](C1(C)C)C[C@@]2(C)O
Calculated Properties
JChem
LogD (pH = 7.4)
2.27
LogD (pH = 5.5)
2.27
Log P
2.27
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-0.42
Polar Surface Area
20.23
Polarizability
20.23
Molar Refractivity
49.95
LOG S
-1.95
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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