SMILES:
CC(=O)c1cnc(-c2ccccc2)nc1Molecular Processing
Molecular formula
C12H10N2O
Molecular weight
198.23
Exact mass
198.0793
XLogP
2.35
TPSA
42.85
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
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
0.083
Molar refractivity
57.47
Supplementary Information
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