SMILES:
O=C(OCc1ccccc1)C1C(SCC[N+](=O)[O-])CC2CC(=O)N21Molecular Processing
Molecular formula
C16H18N2O5S
Molecular weight
350.4
Exact mass
350.0936
XLogP
1.48
TPSA
89.75
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
88
Supplementary Information
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