Molecule

ID:80705

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₄
Molecular Mass
132.11462
Exact Mass
132.04225874
Charge
0
InChI
InChI=1S/C5H8O4/c1-4(6)8-3-9-5(2)7/h3H2,1-2H3
InChIKey
BPGDAMSIGCZZLK-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCOC(=O)C
Isomeric Smiles
O(COC(=O)C)C(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.21632732
LogD (pH = 7.4)
-0.21632732
Log P
-0.21632732
Molar Refractivity
27.6661
Polarizability
11.623122
Polar Surface Area
52.6
Rotatable Bonds
4
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
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References
Bioactivity
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