Molecule

ID:85636

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₂
Molecular Mass
100.11582
Exact Mass
100.0524295
Charge
0
InChI
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)
InChIKey
UIERETOOQGIECD-UHFFFAOYSA-N
Canonic Smiles
C/C(=C\C)/C(=O)O
Isomeric Smiles
O=C(/C(=C/C)/C)O
Calculated Properties
JChem
Acid pKa
4.9713354
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.67428637
LogD (pH = 7.4)
-1.0820109
Log P
1.3151327
Molar Refractivity
27.322
Polarizability
10.226851
Polar Surface Area
37.3
Rotatable Bonds
1
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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