SMILES:
Fc1cccc(Nc2nc(Cl)nc3c2SCC3)c1Molecular Processing
Molecular formula
C12H9ClFN3S
Molecular weight
281.74
Exact mass
281.019
XLogP
3.66
TPSA
37.81
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
71.15
Supplementary Information
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