SMILES:
COCN(c1cc(Cl)cnc1Br)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1Molecular Processing
Molecular formula
C14H10BrCl2F3N2O3S
Molecular weight
494.12
Exact mass
491.8925
XLogP
4.97
TPSA
59.5
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
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
0.214
Molar refractivity
94.94
Supplementary Information
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