SMILES:
CC(C)(C)COc1nc(N2CCNCC2)nc(N2CCS(=O)CC2)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C17H28N6O4S
Molecular weight
412.52
Exact mass
412.1893
XLogP
0.79
TPSA
113.73
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.765
Molar refractivity
108.81
Supplementary Information
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