Molecule

ID:85012

General Information
Structure
MolImage
Molecular Formula
C₄KN₃
Molecular Mass
129.1612
Exact Mass
128.9729287
Charge
0
InChI
InChI=1S/C4N3.K/c5-1-4(2-6)3-7;/q-1;+1
InChIKey
ZKJPYQKGNUBNOA-UHFFFAOYSA-N
Canonic Smiles
N#C[C-](C#N)C#N.[K+]
Isomeric Smiles
N#C[C-](C#N)C#N.[K+]
Calculated Properties
JChem
Acid pKa
0.8661701
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.02139
LogD (pH = 7.4)
-2.0217757
Log P
-0.4225918
Molar Refractivity
21.4938
Polarizability
7.58912
Polar Surface Area
71.37
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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