Molecule

ID:64834

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₂
Molecular Mass
88.10512
Exact Mass
88.0524295
Charge
0
InChI
InChI=1S/C4H8O2/c1-4(2-5)3-6/h5-6H,1-3H2
InChIKey
JFFYKITVXPZLQS-UHFFFAOYSA-N
Canonic Smiles
OCC(=C)CO
Isomeric Smiles
OCC(=C)CO
Calculated Properties
JChem
Acid pKa
14.808976
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.82473713
LogD (pH = 7.4)
-0.82473713
Log P
-0.82473713
Molar Refractivity
23.4807
Polarizability
9.1106615
Polar Surface Area
40.46
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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