SMILES:
O=[N+]([O-])C=Cc1ccc(Cl)s1Molecular Processing
Molecular formula
C6H4ClNO2S
Molecular weight
189.62
Exact mass
188.9651
XLogP
2.65
TPSA
43.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
45.36
Supplementary Information
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