Molecule

ID:2036

General Information
Structure
MolImage
Molecular Formula
C₃H₅NO₄
Molecular Mass
119.0761
Exact Mass
119.02185765
Charge
0
InChI
InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8)
InChIKey
JINBYESILADKFW-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)O)C(=O)O
Isomeric Smiles
NC(C(=O)O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.70
LogD (pH = 5.5)
-5.23
Log P
-3.43
Rotatable Bonds
2
H Donor
3
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
0.45
Polar Surface Area
100.62
Polarizability
9.37
Molar Refractivity
21.98
LOG S
0.29
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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