Molecule

ID:136431

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₄
Molecular Mass
135.09258451
Exact Mass
135.05232325
Charge
0
InChI
InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7)/i3+1,4+1,5+1
InChIKey
HGINADPHJQTSKN-FRSWOAELSA-N
Canonic Smiles
CCO[13C](=O)[13CH2][13C](=O)O
Isomeric Smiles
CCO[13C](=O)[13CH2][13C](=O)O
Calculated Properties
JChem
Acid pKa
3.917031
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4176992
LogD (pH = 7.4)
-3.0331244
Log P
0.17158474
Molar Refractivity
28.5055
Polarizability
11.39605
Polar Surface Area
63.6
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
References
Bioactivity
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