Molecule

ID:109337

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;
InChIKey
OEYMAKISKGNYAV-UHFFFAOYSA-N
Canonic Smiles
N#C[Ca]C#N
Isomeric Smiles
N#C[Ca]C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.7198
LogD (pH = 7.4)
-0.7198
Log P
-0.7198
Molar Refractivity
13.3112
Polarizability
6.898665
Polar Surface Area
47.58
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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