SMILES:
CC(C)(C)OC(=O)C1CN(CC(=O)c2ccc(C#N)cc2)C1Molecular Processing
Molecular formula
C17H20N2O3
Molecular weight
300.36
Exact mass
300.1474
XLogP
2.01
TPSA
70.4
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
81.26
Supplementary Information
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