SMILES:
O=C(O)c1ccc(SCCO)c([N+](=O)[O-])c1Molecular Processing
Molecular formula
C9H9NO5S
Molecular weight
243.24
Exact mass
243.0201
XLogP
1.38
TPSA
100.67
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
57.87
Supplementary Information
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