SMILES:
Cc1cc(=O)[nH]c(Cc2cccnc2)n1Molecular Processing
Molecular formula
C11H11N3O
Molecular weight
201.23
Exact mass
201.0902
XLogP
1.06
TPSA
58.64
H-bond donors
1
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
4
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
56.64
Supplementary Information
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