SMILES:
CC(=O)Nc1ccc(C)c2c1C(=O)CCC2Molecular Processing
Molecular formula
C13H15NO2
Molecular weight
217.27
Exact mass
217.1103
XLogP
2.47
TPSA
46.17
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
62.75
Supplementary Information
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