Cc1cc(C(=O)NC(C#N)C(N)=O)cc(C)n1
Name: N-(2-amino-1-cyano-2-oxoethyl)-2,6-dimethylisonicotinamide
SMILES: Cc1cc(C(=O)NC(C#N)C(N)=O)cc(C)n1

Molecular Processing

Molecular formula
C11H12N4O2
Molecular weight
232.24
Exact mass
232.096
XLogP
-0.19
TPSA
108.87
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
59.77

Supplementary Information

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