Nombre: Compound ( i )
SMILES:
COC(=O)c1ccccc1-c1ccc(CN)cc1Molecular Processing
Molecular formula
C15H15NO2
Molecular weight
241.29
Exact mass
241.1103
XLogP
2.6
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
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
0.133
Molar refractivity
71.11
Supplementary Information
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