Molecule

ID:53528

General Information
Structure
MolImage
Molecular Formula
C₅H₃KN₂O₄
Molecular Mass
194.18662
Exact Mass
193.97298827
Charge
0
InChI
InChI=1S/C5H4N2O4.K/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1
InChIKey
DHBUISJCVRMTAZ-UHFFFAOYSA-M
Canonic Smiles
O=c1[nH]c(=O)[nH]c(c1)C(=O)[O-].[K+]
Isomeric Smiles
c1(cc(=O)[nH]c(=O)[nH]1)C(=O)[O-].[K+]
Calculated Properties
JChem
Acid pKa
2.827267
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.8447902
LogD (pH = 7.4)
-4.7215567
Log P
-1.2276645
Molar Refractivity
44.1117
Polarizability
12.101853
Polar Surface Area
98.33
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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