Molecule

ID:89826

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₂
Molecular Mass
86.08924
Exact Mass
86.03677943
Charge
0
InChI
InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)
InChIKey
CERQOIWHTDAKMF-UHFFFAOYSA-N
Canonic Smiles
CC(=C)C(=O)O
Isomeric Smiles
O=C(O)C(=C)C
Calculated Properties
JChem
LogD (pH = 7.4)
-1.75
LogD (pH = 5.5)
0.03
Log P
0.93
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.66
Polar Surface Area
37.30
Polarizability
8.38
Molar Refractivity
21.65
LOG S
-0.10
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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