Molecule

ID:101047

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₂
Molecular Mass
100.11582
Exact Mass
100.0524295
Charge
0
InChI
InChI=1S/C5H8O2/c1-4(6)5(2)3-7-5/h3H2,1-2H3
InChIKey
MQUWXOWAAZHBSG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C1(C)CO1
Isomeric Smiles
C1(OC1)(C(=O)C)C
Calculated Properties
JChem
Acid pKa
17.758818
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.40535548
LogD (pH = 7.4)
0.40535548
Log P
0.40535548
Molar Refractivity
25.1378
Polarizability
10.005251
Polar Surface Area
29.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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