SMILES:
N#Cc1c[nH]nn1Molecular Processing
Molecular formula
C3H2N4
Molecular weight
94.08
Exact mass
94.0279
XLogP
-0.32
TPSA
65.36
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
7
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
21.1
Supplementary Information
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