الاسم: 3-cyclopentyl-2-(4-methanesulfonyl-3-trifluoromethyl-phenyl)-propionic acid
SMILES:
CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1C(F)(F)FMolecular Processing
Molecular formula
C16H19F3O4S
Molecular weight
364.38
Exact mass
364.0956
XLogP
3.86
TPSA
71.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
81.51
Supplementary Information
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