Molecule

ID:52883

General Information
Structure
MolImage
Molecular Formula
C₅H₆O₂
Molecular Mass
98.09994
Exact Mass
98.03677943
Charge
0
InChI
InChI=1S/C5H6O2/c6-5-2-1-3-7-4-5/h1,3H,2,4H2
InChIKey
MALOBWMOORWUQW-UHFFFAOYSA-N
Canonic Smiles
O=C1COC=CC1
Isomeric Smiles
C1C(=O)CC=CO1
Calculated Properties
JChem
Acid pKa
14.530075
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.17114027
LogD (pH = 7.4)
0.17114024
Log P
0.17114027
Molar Refractivity
25.6366
Polarizability
9.756357
Polar Surface Area
26.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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