Molecule

ID:128338

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₂
Molecular Mass
100.11582
Exact Mass
100.0524295
Charge
0
InChI
InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3
InChIKey
VVQNEPGJFQJSBK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(=C)C
Isomeric Smiles
O=C(OC)C(=C)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.31
LogD (pH = 5.5)
1.31
Log P
1.31
Rotatable Bonds
2
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-6.82
Polar Surface Area
26.30
Polarizability
10.47
Molar Refractivity
26.42
LOG S
-0.33
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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