Nom: 2-(4-fluoro-3-methyl-phenylsulfanyl)-hexanoic acid methyl ester
SMILES:
CCCCC(Sc1ccc(F)c(C)c1)C(=O)OCMolecular Processing
Molecular formula
C14H19FO2S
Molecular weight
270.37
Exact mass
270.109
XLogP
3.96
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
72.32
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→