SMILES:
Cc1cnc(C#N)c(-n2ccnn2)c1Molecular Processing
Molecular formula
C9H7N5
Molecular weight
185.19
Exact mass
185.0701
XLogP
0.84
TPSA
67.39
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
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
0.111
Molar refractivity
48.61
Supplementary Information
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