Molecule

ID:2435

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO₃
Molecular Mass
117.10328
Exact Mass
117.04259309
Charge
0
InChI
InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
InChIKey
OKJIRPAQVSHGFK-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NCC(=O)O
Isomeric Smiles
CC(=O)NCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.60
LogD (pH = 5.5)
-3.06
Log P
-1.33
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.77
Polar Surface Area
66.40
Polarizability
10.68
Molar Refractivity
25.45
LOG S
0.17
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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