SMILES:
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](Sc2cccc([N+](=O)[O-])c2)SC[C@H]1OC(C)=OMolecular Processing
Molecular formula
C17H19NO8S2
Molecular weight
429.47
Exact mass
429.0552
XLogP
2.55
TPSA
122.04
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
101.86
Supplementary Information
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