Molecule

ID:107612

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₂
Molecular Mass
88.10512
Exact Mass
88.0524295
Charge
0
InChI
InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2
InChIKey
VDFVNEFVBPFDSB-UHFFFAOYSA-N
Canonic Smiles
C1CCOCO1
Isomeric Smiles
C1COCOC1
Calculated Properties
JChem
LogD (pH = 7.4)
0.08
LogD (pH = 5.5)
0.08
Log P
0.08
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-4.00
Polar Surface Area
18.46
Polarizability
8.96
Molar Refractivity
21.76
LOG S
-0.01
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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