Molecule

ID:82243

General Information
Structure
Molecular Formula
C₅H₆O₂
Molecular Mass
98.09994
Exact Mass
98.03677943
Charge
0
InChI
InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2
InChIKey
LOGSONSNCYTHPS-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(=O)C1
Isomeric Smiles
O=C1CC(=O)CC1
Calculated Properties
JChem
LogD (pH = 7.4)
0.32
LogD (pH = 5.5)
0.38
Log P
0.38
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
8.29
Polar Surface Area
34.14
Polarizability
9.41
Molar Refractivity
24.34
LOG S
0.12
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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