Molecule

ID:69801

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₂
Molecular Mass
100.11582
Exact Mass
100.0524295
Charge
0
InChI
InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
InChIKey
FCWYQRVIQDNGBI-UHFFFAOYSA-N
Canonic Smiles
O=C1CCOC1C
Isomeric Smiles
O1C(C(=O)CC1)C
Calculated Properties
JChem
Acid pKa
17.138794
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.43926427
LogD (pH = 7.4)
0.43926427
Log P
0.43926427
Molar Refractivity
25.2824
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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