SMILES:
COc1ccc2c(c1)SCc1cccc([N+](=O)[O-])c1C2=OMolecular Processing
Molecular formula
C15H11NO4S
Molecular weight
301.32
Exact mass
301.0409
XLogP
3.44
TPSA
69.44
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
79.08
Supplementary Information
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