Molecule

ID:111280

General Information
Structure
MolImage
Molecular Formula
CNNaO
Molecular Mass
65.00657
Exact Mass
64.98775791
Charge
0
InChI
InChI=1S/CHNO.Na/c2-1-3;/h3H;/q;+1/p-1
InChIKey
ZVCDLGYNFYZZOK-UHFFFAOYSA-M
Canonic Smiles
[O-]C#N.[Na+]
Isomeric Smiles
[Na+].[O-]C#N
Calculated Properties
JChem
Acid pKa
0.35919684
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-3.534109
LogD (pH = 7.4)
-3.5371897
Log P
-0.53806055
Molar Refractivity
19.7705
Polarizability
2.8882353
Polar Surface Area
46.85
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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