Name: phenyl-(4-chloro-3-nitrophenyl) sulfoxide
SMILES:
O=[N+]([O-])c1cc(S(=O)c2ccccc2)ccc1ClMolecular Processing
Molecular formula
C12H8ClNO3S
Molecular weight
281.72
Exact mass
280.9913
XLogP
3.41
TPSA
60.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
69.22
Supplementary Information
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