Nombre: trifluoromethanesulfonic acid 6-chloroisoquinolin-3-yl ester
SMILES:
O=S(=O)(Oc1cc2cc(Cl)ccc2cn1)C(F)(F)FMolecular Processing
Molecular formula
C10H5ClF3NO3S
Molecular weight
311.67
Exact mass
310.9631
XLogP
3.12
TPSA
56.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
62.36
Supplementary Information
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