SMILES:
O=C=Nc1cccnc1Molecular Processing
Molecular formula
C6H4N2O
Molecular weight
120.11
Exact mass
120.0324
XLogP
1.05
TPSA
42.32
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
32.02
Supplementary Information
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