SMILES:
Cc1cn(N=Cc2cccnc2)c(=O)n1CMolecular Processing
Molecular formula
C11H12N4O
Molecular weight
216.24
Exact mass
216.1011
XLogP
0.77
TPSA
52.18
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
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
0.182
Molar refractivity
61.64
Supplementary Information
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