SMILES:
CCOC=Nc1occ(-c2ccc(NC(C)=O)cc2)c1C#NMolecular Processing
Molecular formula
C16H15N3O3
Molecular weight
297.31
Exact mass
297.1113
XLogP
3.47
TPSA
87.62
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
82.94
Supplementary Information
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