Molecule

ID:69870

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₄
Molecular Mass
132.11462
Exact Mass
132.04225874
Charge
0
InChI
InChI=1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey
JDRMYOQETPMYQX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCC(=O)O
Isomeric Smiles
C(=O)(CCC(=O)O)OC
Calculated Properties
JChem
LogD (pH = 7.4)
-3.38
LogD (pH = 5.5)
-1.71
Log P
-0.25
Rotatable Bonds
4
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.05
Polar Surface Area
63.60
Polarizability
12.28
Molar Refractivity
28.31
LOG S
0.55
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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