Molecule

ID:63351

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₂
Molecular Mass
86.08924
Exact Mass
86.03677943
Charge
0
InChI
InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2
InChIKey
JLPJFSCQKHRSQR-UHFFFAOYSA-N
Canonic Smiles
O=C1COCC1
Isomeric Smiles
C1(=O)CCOC1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.13
LogD (pH = 5.5)
-0.13
Log P
-0.13
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-4.18
Polar Surface Area
26.30
Polarizability
8.23
Molar Refractivity
20.79
LOG S
-0.04
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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