Nom: methyl 5-(trifluoromethyl)-1-benzothiophene-2-carboxylate
SMILES:
COC(=O)c1cc2cc(C(F)(F)F)ccc2s1Molecular Processing
Molecular formula
C11H7F3O2S
Molecular weight
260.24
Exact mass
260.0119
XLogP
3.71
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
58.17
Supplementary Information
Récupération des détails…
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