SMILES:
CSc1c(Cl)cc2c([nH]c3cnccc32)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C12H8ClN3O2S
Molecular weight
293.74
Exact mass
293.0026
XLogP
4
TPSA
71.82
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
77.05
Supplementary Information
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