SMILES:
CCCc1nc(C#N)c(C#N)[nH]1Molecular Processing
Molecular formula
C8H8N4
Molecular weight
160.18
Exact mass
160.0749
XLogP
1.11
TPSA
76.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
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
0.375
Molar refractivity
42.01
Supplementary Information
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