COC(=O)C1CC(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)CN1C(=O)OC(C)(C)C
SMILES: COC(=O)C1CC(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)CN1C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C17H22N2O9S
Molecular weight
430.44
Exact mass
430.1046
XLogP
1.85
TPSA
142.35
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
98.52

Supplementary Information

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