Molecule

ID:70978

General Information
Structure
MolImage
Molecular Formula
C₄H₈O
Molecular Mass
72.10572
Exact Mass
72.05751488
Charge
0
InChI
InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2
InChIKey
GUDMZGLFZNLYEY-UHFFFAOYSA-N
Canonic Smiles
OCC1CC1
Isomeric Smiles
C(O)C1CC1
Calculated Properties
JChem
Acid pKa
17.100975
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.2620002
LogD (pH = 7.4)
0.2620002
Log P
0.2620002
Molar Refractivity
20.2033
Polarizability
7.9887843
Polar Surface Area
20.23
Rotatable Bonds
1
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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