SMILES:
CC(C)(C)OC(=O)N1CCC2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2C1Molecular Processing
Molecular formula
C17H23N3O6S
Molecular weight
397.45
Exact mass
397.1308
XLogP
2.22
TPSA
110.06
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
96.69
Supplementary Information
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