Molecule

ID:136102

General Information
Structure
Molecular Formula
C₆H₁₂O
Molecular Mass
100.15888
Exact Mass
100.088815
Charge
0
InChI
InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKey
HPXRVTGHNJAIIH-UHFFFAOYSA-N
Canonic Smiles
OC1CCCCC1
Isomeric Smiles
OC1CCCCC1
Calculated Properties
JChem
Acid pKa
18.183546
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2806934
LogD (pH = 7.4)
1.2806934
Log P
1.2806934
Molar Refractivity
29.2755
Polarizability
11.74312
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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