SMILES:
CC(=O)NCCc1cc2c(cc1CC#N)OCO2Molecular Processing
Molecular formula
C13H14N2O3
Molecular weight
246.27
Exact mass
246.1004
XLogP
1.16
TPSA
71.35
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
64.27
Supplementary Information
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