Cn1c(C(F)(F)F)cnc(-c2cc(NS(C)(=O)=O)c(Cl)cc2F)c1=O
SMILES: Cn1c(C(F)(F)F)cnc(-c2cc(NS(C)(=O)=O)c(Cl)cc2F)c1=O

Molecular Processing

Molecular formula
C13H10ClF4N3O3S
Molecular weight
399.75
Exact mass
399.0068
XLogP
2.63
TPSA
81.06
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
83.35

Supplementary Information

Details werden geladen…

An 2 Reaktionen beteiligt