Molecule

ID:3006

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₂
Molecular Mass
88.10512
Exact Mass
88.0524295
Charge
0
InChI
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChIKey
RYHBNJHYFVUHQT-UHFFFAOYSA-N
Canonic Smiles
O1CCOCC1
Isomeric Smiles
C1COCCO1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.09
LogD (pH = 5.5)
-0.09
Log P
-0.09
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-3.85
Polar Surface Area
18.46
Polarizability
8.97
Molar Refractivity
22.09
LOG S
0.17
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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