SMILES:
CS(=O)(=O)O[C@@H]1C[C@@H](C2=NCCS2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1Molecular Processing
Molecular formula
C16H19N3O7S2
Molecular weight
429.48
Exact mass
429.0664
XLogP
1.8
TPSA
128.41
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
102.87
Supplementary Information
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