SMILES:
Cn1cccc1C(=O)C(C#N)C(=O)Nc1ccc(O)cc1Molecular Processing
Molecular formula
C15H13N3O3
Molecular weight
283.29
Exact mass
283.0957
XLogP
1.69
TPSA
95.12
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
75.58
Supplementary Information
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