SMILES:
CC(C)(C)OC(=O)N1CC2CN(c3cncc(C(=O)O)c3)CC2C1Molecular Processing
Molecular formula
C17H23N3O4
Molecular weight
333.39
Exact mass
333.1689
XLogP
2.08
TPSA
82.97
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
88.2
Supplementary Information
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