O=[N+]([O-])c1ccc(O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)cc1
SMILES: O=[N+]([O-])c1ccc(O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)cc1

Molecular Processing

Molecular formula
C11H13NO6S
Molecular weight
287.29
Exact mass
287.0464
XLogP
0.13
TPSA
113.06
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
67.99

Supplementary Information

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