SMILES:
COC(=O)c1ccc(OC(C)C)c(C#N)c1Molecular Processing
Molecular formula
C12H13NO3
Molecular weight
219.24
Exact mass
219.0895
XLogP
2.13
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
58.26
Supplementary Information
Obteniendo detalles…
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