SMILES:
O=c1cnc2ccccc2[nH]1Molecular Processing
Molecular formula
C8H6N2O
Molecular weight
146.15
Exact mass
146.048
XLogP
0.92
TPSA
45.75
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
2
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
42.36
Supplementary Information
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