SMILES:
Cn1nc(-c2c(F)cc(Cl)c3nc(N)sc23)c(Br)c1OC(F)FMolecular Processing
Molecular formula
C12H7BrClF3N4OS
Molecular weight
427.63
Exact mass
425.9165
XLogP
4.44
TPSA
65.96
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
85.53
Supplementary Information
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