SMILES:
CCOC(=O)C(CCC#N)c1ccccc1Molecular Processing
Molecular formula
C13H15NO2
Molecular weight
217.27
Exact mass
217.1103
XLogP
2.64
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
60.66
Supplementary Information
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