SMILES:
CSCc1cccc2c(C(C)(CCC#N)c3ccc(C(F)(F)F)cc3)c[nH]c12Molecular Processing
Molecular formula
C22H21F3N2S
Molecular weight
402.48
Exact mass
402.1378
XLogP
6.66
TPSA
39.58
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
108.26
Supplementary Information
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