Molecule

ID:33106

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO₄
Molecular Mass
133.10268
Exact Mass
133.03750771
Charge
0
InChI
InChI=1S/C4H7NO4/c5-3(6)1-9-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)
InChIKey
WBZVQGYKIVWFGQ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)COCC(=O)O
Isomeric Smiles
C(=O)(N)COCC(=O)O
Calculated Properties
JChem
Acid pKa
3.544307
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.6754665
LogD (pH = 7.4)
-5.0881004
Log P
-1.7264266
Molar Refractivity
27.0039
Polarizability
10.778443
Polar Surface Area
89.62
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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