Molecule

ID:3575

General Information
Structure
Molecular Formula
C₂H₃NO₃
Molecular Mass
89.05012
Exact Mass
89.01129296
Charge
0
InChI
InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)
InChIKey
SOWBFZRMHSNYGE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)N
Isomeric Smiles
NC(=O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.58
LogD (pH = 5.5)
-3.98
Log P
-1.07
Rotatable Bonds
1
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
2.49
Polar Surface Area
80.39
Polarizability
6.65
Molar Refractivity
16.26
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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