Molecule

ID:112697

General Information

Structure

MolImage

Molecular Formula

C₂N₂Ni

Molecular Mass

110.7282

Exact Mass

109.94149091

Charge

0

InChI

InChI=1S/2CN.Ni/c2*1-2;/q2*-1;+2

InChIKey

NLEUXPOVZGDKJI-UHFFFAOYSA-N

Canonic Smiles

N#[C-].N#[C-].[Ni+2]

Isomeric Smiles

[Ni+2].[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

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Molecular Spectra

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Molecule Details

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References

Bioactivity