SMILES:
COC(=O)c1ncccc1C1=CCN(C(=O)OC(C)(C)C)CC1Molecular Processing
Molecular formula
C17H22N2O4
Molecular weight
318.37
Exact mass
318.158
XLogP
2.89
TPSA
68.73
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
85.98
Supplementary Information
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