Molecule

ID:126337

General Information
Structure
MolImage
Molecular Formula
C₂CaN₂
Molecular Mass
92.1128
Exact Mass
91.96873899
Charge
0
InChI
InChI=1S/2CN.Ca/c2*1-2;/q2*-1;+2
InChIKey
ZQULWKDLLXZZSP-UHFFFAOYSA-N
Canonic Smiles
N#[C-].N#[C-].[Ca+2]
Isomeric Smiles
[Ca+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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation