Molecule

ID:107804

General Information
Structure
MolImage
Molecular Formula
C₂BaN₂
Molecular Mass
189.3618
Exact Mass
189.91139501
Charge
0
InChI
InChI=1S/2CN.Ba/c2*1-2;/q2*-1;+2
InChIKey
UNLSXXHOHZUADN-UHFFFAOYSA-N
Canonic Smiles
N#[C-].N#[C-].[Ba+2]
Isomeric Smiles
[Ba+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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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