Molecule

ID:107081

General Information
Structure
MolImage
Molecular Formula
C₃KN₃Ni
Molecular Mass
175.8439
Exact Mass
174.9082716
Charge
0
InChI
InChI=1S/3CN.K.Ni/c3*1-2;;/q3*-1;+1;+2
InChIKey
IPDWWHDBMMTVHW-UHFFFAOYSA-N
Canonic Smiles
N#[C-].N#[C-].N#[C-].[K+].[Ni+2]
Isomeric Smiles
[K+].[Ni+2].[C-]#N.[C-]#N.[C-]#N
Calculated Properties
JChem
Acid pKa
9.5
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.34610683
LogD (pH = 7.4)
-0.33904728
Log P
-0.34619832
Molar Refractivity
15.8149
Polarizability
2.6105857
Polar Surface Area
23.79
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
No Data Available
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Molecule Details
References
Bioactivity
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