이름: 1-(3,5-dioxapiperidin-1-yl)sulphonyl-4-nitrobenzene
SMILES:
O=[N+]([O-])c1ccc(S(=O)(=O)N2COCOC2)cc1Molecular Processing
Molecular formula
C9H10N2O6S
Molecular weight
274.25
Exact mass
274.026
XLogP
0.5
TPSA
98.98
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
58.89
Supplementary Information
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