Molecule

ID:112578

General Information
Structure
MolImage
Molecular Formula
CKNO₄W
Molecular Mass
312.9533
Exact Mass
312.89737017
Charge
0
InChI
InChI=1S/CHNO.K.3O.W/c2-1-3;;;;;/h3H;;;;;/q;+1;;;-1;+1/p-1
InChIKey
MVRDDZDYAPIJSV-UHFFFAOYSA-M
Canonic Smiles
N#CO[W](=O)(=O)[O-].[K+]
Isomeric Smiles
[K+].[O-][W](=O)(=O)OC#N
Calculated Properties
JChem
Acid pKa
12.179387
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.0777001
LogD (pH = 7.4)
-1.0777072
Log P
-1.0777
Molar Refractivity
12.3345
Polarizability
12.621038
Polar Surface Area
90.22
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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