SMILES:
Nc1ccc(CNC(=O)c2ccccn2)cc1Molecular Processing
Molecular formula
C13H13N3O
Molecular weight
227.27
Exact mass
227.1059
XLogP
1.59
TPSA
68.01
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
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
0.077
Molar refractivity
66.26
Supplementary Information
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