Molecule

ID:109727

General Information
Structure
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Molecular Formula
C₅H₈O₂
Molecular Mass
100.11582
Exact Mass
100.0524295
Charge
0
InChI
InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
InChIKey
HETCEOQFVDFGSY-UHFFFAOYSA-N
Canonic Smiles
CC(=C)OC(=O)C
Isomeric Smiles
CC(=C)OC(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.4995621
LogD (pH = 7.4)
0.4995621
Log P
0.4995621
Molar Refractivity
26.9241
Polarizability
10.472008
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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