Molecule

ID:112648

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O
Molecular Mass
100.15888
Exact Mass
100.088815
Charge
0
InChI
InChI=1S/C6H12O/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3
InChIKey
BVIJQMCYYASIFP-UHFFFAOYSA-N
Canonic Smiles
OC1CCCC1C
Isomeric Smiles
CC1CCCC1O
Calculated Properties
JChem
Acid pKa
18.47008
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2010976
LogD (pH = 7.4)
1.2010976
Log P
1.2010976
Molar Refractivity
29.1461
Polarizability
11.669966
Polar Surface Area
20.23
Rotatable Bonds
0
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
References
Bioactivity
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