Molecule

ID:68488

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₂
Molecular Mass
100.11582
Exact Mass
100.0524295
Charge
0
InChI
InChI=1S/C5H8O2/c6-5-2-1-3-7-4-5/h1-4H2
InChIKey
URUUZIAJVSGYRC-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCOC1
Isomeric Smiles
C1C(=O)CCCO1
Calculated Properties
JChem
Acid pKa
17.831997
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.15916122
LogD (pH = 7.4)
0.15916122
Log P
0.15916122
Molar Refractivity
25.5435
Polarizability
10.005251
Polar Surface Area
26.3
Rotatable Bonds
0
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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