SMILES:
Cc1cc(F)ccc1S(=O)(=O)Nc1cncc(-c2ccc(C#N)c(Cl)c2)c1Molecular Processing
Molecular formula
C19H13ClFN3O2S
Molecular weight
401.85
Exact mass
401.0401
XLogP
4.52
TPSA
82.85
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.053
Molar refractivity
101.34
Supplementary Information
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