Molecule

ID:110767

General Information
Structure
MolImage
Molecular Formula
C₆FeN₆Ni₂
Molecular Mass
329.3362
Exact Mass
327.82406733
Charge
0
InChI
InChI=1S/6CN.Fe.2Ni/c6*1-2;;;/q6*-1;3*+2
InChIKey
SWODCICMZQPBPU-UHFFFAOYSA-N
Canonic Smiles
N#[C-].N#[C-].N#[C-].N#[C-].N#[C-].N#[C-].[Fe+2].[Ni+2].[Ni+2]
Isomeric Smiles
[Fe+2].[Ni+2].[Ni+2].[C-]#N.[C-]#N.[C-]#N.[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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation