Molecule

ID:88124

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O
Molecular Mass
100.15888
Exact Mass
100.088815
Charge
0
InChI
InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3
InChIKey
FTZILAQGHINQQR-UHFFFAOYSA-N
Canonic Smiles
CC(C=O)CCC
Isomeric Smiles
O=CC(CCC)C
Calculated Properties
JChem
Acid pKa
18.343504
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7506975
LogD (pH = 7.4)
1.7506975
Log P
1.7506975
Molar Refractivity
30.1217
Polarizability
11.85328
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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