SMILES:
N#Cc1ncc(N)cn1Molecular Processing
Molecular formula
C5H4N4
Molecular weight
120.11
Exact mass
120.0436
XLogP
-0.07
TPSA
75.59
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
9
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
31.16
Supplementary Information
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