Molecule

ID:79822

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₂
Molecular Mass
116.15828
Exact Mass
116.08372962
Charge
0
InChI
InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2
InChIKey
VKONPUDBRVKQLM-UHFFFAOYSA-N
Canonic Smiles
OC1CCC(CC1)O
Isomeric Smiles
OC1CCC(CC1)O
Calculated Properties
JChem
Acid pKa
14.951919
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.10602506
LogD (pH = 7.4)
-0.10602508
Log P
-0.10602506
Molar Refractivity
30.945
Polarizability
12.306064
Polar Surface Area
40.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
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