Molecule

ID:112842

General Information
Structure
MolImage
Molecular Formula
C₅H₆O₂
Molecular Mass
98.09994
Exact Mass
98.03677943
Charge
0
InChI
InChI=1S/C5H6O2/c1-3-4-7-5(2)6/h1H,4H2,2H3
InChIKey
RIZZXCJMFIGMON-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCC#C
Isomeric Smiles
CC(=O)OCC#C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.15063138
LogD (pH = 7.4)
0.15063138
Log P
0.15063138
Molar Refractivity
24.993
Polarizability
9.635451
Polar Surface Area
26.3
Rotatable Bonds
2
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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