SMILES:
COc1cc(N2CCC(CCS(C)(=O)=O)CC2)c(C)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C16H24N2O5S
Molecular weight
356.44
Exact mass
356.1406
XLogP
2.56
TPSA
89.75
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
93.65
Supplementary Information
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