SMILES:
Cc1ncc(C=O)n1-c1ccc(Cl)cc1C1(c2ccccc2F)SCCCS1Molecular Processing
Molecular formula
C21H18ClFN2OS2
Molecular weight
432.97
Exact mass
432.0533
XLogP
5.86
TPSA
34.89
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
115.41
Supplementary Information
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