O=C1C2CC(F)CN2C(=O)N1c1cc(NS(=O)(=O)CCl)c(Cl)cc1F
SMILES: O=C1C2CC(F)CN2C(=O)N1c1cc(NS(=O)(=O)CCl)c(Cl)cc1F

Molecular Processing

Molecular formula
C13H11Cl2F2N3O4S
Molecular weight
414.22
Exact mass
412.9815
XLogP
2.3
TPSA
86.79
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
87.56

Supplementary Information

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