Molecule
ID:83537
General Information
Molecular Formula
C₈H₁₂O
Molecular Mass
124.18028
Exact Mass
124.088815
Charge
0
InChI
InChI=1S/C8H12O/c9-8-6-2-4-1-5(6)7(8)3-4/h4-9H,1-3H2/t4?,5?,6?,7?,8-
InChIKey
XGHXQGWOJUNFQR-GEQQDJLBSA-N
Canonic Smiles
O[C@@H]1C2CC3CC1C2C3
Isomeric Smiles
O[C@H]1C2C3C1CC(C3)C2
Calculated Properties
JChem
Acid pKa
18.45437
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7680881
LogD (pH = 7.4)
0.76808816
Log P
0.76808816
Molar Refractivity
34.5095
Polarizability
13.896288
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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