SMILES:
N#Cc1ccc(O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)cc1Molecular Processing
Molecular formula
C12H13NO4S
Molecular weight
267.31
Exact mass
267.0565
XLogP
0.09
TPSA
93.71
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
66.05
Supplementary Information
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