CC(=O)OC1CSC(Sc2ccc([N+](=O)[O-])cc2)C(OC(C)=O)C1OC(C)=O
SMILES: CC(=O)OC1CSC(Sc2ccc([N+](=O)[O-])cc2)C(OC(C)=O)C1OC(C)=O

Molecular 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
4
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
101.86

Supplementary Information

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