Molecule

ID:10733

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₂
Molecular Mass
88.10512
Exact Mass
88.0524295
Charge
0
InChI
InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3
InChIKey
CUZLJOLBIRPEFB-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)C
Isomeric Smiles
O=C(C)COC
Calculated Properties
JChem
Acid pKa
18.342966
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.06784173
LogD (pH = 7.4)
-0.06784173
Log P
-0.06784173
Molar Refractivity
22.6482
Polarizability
8.888966
Polar Surface Area
26.3
Rotatable Bonds
2
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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