SMILES:
Cn1c(-c2cccnc2)cc(=O)n(C)c1=OMolecular Processing
Molecular formula
C11H11N3O2
Molecular weight
217.23
Exact mass
217.0851
XLogP
0.15
TPSA
56.89
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
60.16
Supplementary Information
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