SMILES:
CC(C)(C)OC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1Molecular Processing
Molecular formula
C19H19NO3
Molecular weight
309.37
Exact mass
309.1365
XLogP
3.95
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
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
0.263
Molar refractivity
87.93
Supplementary Information
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