Molecule

ID:136643

General Information
Structure
Molecular Formula
C₄H₃KN₂O₃
Molecular Mass
166.17652
Exact Mass
165.97807365
Charge
0
InChI
InChI=1S/C4H4N2O3.K/c1-2-5-6-3(9-2)4(7)8;/h1H3,(H,7,8);/q;+1/p-1
InChIKey
BRHMYHXNUGVBCU-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)c1nnc(o1)C.[K+]
Isomeric Smiles
Cc1nnc(o1)C(=O)[O-].[K+]
Calculated Properties
JChem
Acid pKa
2.598464
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-3.6973565
LogD (pH = 7.4)
-4.393984
Log P
-0.8871219
Molar Refractivity
38.9948
Polarizability
9.736218
Polar Surface Area
79.05
Rotatable Bonds
1
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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