SMILES:
COC(=O)c1ccc(CN)cc1-c1ccccc1CMolecular Processing
Molecular formula
C16H17NO2
Molecular weight
255.32
Exact mass
255.1259
XLogP
2.91
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
75.85
Supplementary Information
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