CC(C#N)(Cn1cc2c(Cl)cc(Cl)cc2n1)NC(=S)c1ccc(C(F)(F)F)cc1
SMILES: CC(C#N)(Cn1cc2c(Cl)cc(Cl)cc2n1)NC(=S)c1ccc(C(F)(F)F)cc1

Molecular Processing

Molecular formula
C19H13Cl2F3N4S
Molecular weight
457.31
Exact mass
456.019
XLogP
5.61
TPSA
53.64
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
110.05

Supplementary Information

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