SMILES:
O=C1c2ccccc2-c2[nH]c(=O)cnc21Molecular Processing
Molecular formula
C11H6N2O2
Molecular weight
198.18
Exact mass
198.0429
XLogP
0.98
TPSA
62.82
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
15
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
53.73
Supplementary Information
Récupération des détails…
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