Molecule

ID:112580

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O
Molecular Mass
100.15888
Exact Mass
100.088815
Charge
0
InChI
InChI=1S/C6H12O/c1-2-4-6-7-5-3-1/h1-6H2
InChIKey
UHHKSVZZTYJVEG-UHFFFAOYSA-N
Canonic Smiles
C1CCCCOC1
Isomeric Smiles
C1CCCOCC1
Calculated Properties
JChem
LogD (pH = 7.4)
1.42
LogD (pH = 5.5)
1.42
Log P
1.42
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-4.12
Polar Surface Area
9.23
Polarizability
11.92
Molar Refractivity
29.76
LOG S
-0.65
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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