Molecule

ID:14090

General Information
Structure
MolImage
Molecular Formula
C₃H₃KN₄O₂
Molecular Mass
166.17982
Exact Mass
165.98930704
Charge
0
InChI
InChI=1S/C3H4N4O2.K/c8-3(9)1-7-2-4-5-6-7;/h2H,1H2,(H,8,9);/q;+1/p-1
InChIKey
QNBMARJJRFWCEV-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)Cn1cnnn1.[K+]
Isomeric Smiles
n1(cnnn1)CC(=O)[O-].[K+]
Calculated Properties
JChem
Acid pKa
2.8912926
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-3.7299237
LogD (pH = 7.4)
-4.655472
Log P
-1.169305
Molar Refractivity
50.4563
Polarizability
9.764369
Polar Surface Area
83.73
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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