SMILES:
CC(=O)Nc1cc(N)c(C#N)c(-c2ccccc2)n1Molecular Processing
Molecular formula
C14H12N4O
Molecular weight
252.28
Exact mass
252.1011
XLogP
2.16
TPSA
91.8
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
73.1
Supplementary Information
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