SMILES:
CCCN(CCC)C(=O)c1cc(C#N)cc(C(=O)OC)c1Molecular Processing
Molecular formula
C16H20N2O3
Molecular weight
288.35
Exact mass
288.1474
XLogP
2.61
TPSA
70.4
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
78.98
Supplementary Information
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