Nom: 2-(3-chloro-4-methanesulfonyl-phenyl)-3-(tetrahydro-furan-3-yl)-propionic acid
SMILES:
CS(=O)(=O)c1ccc(C(CC2CCOC2)C(=O)O)cc1ClMolecular Processing
Molecular formula
C14H17ClO5S
Molecular weight
332.8
Exact mass
332.0485
XLogP
2.34
TPSA
80.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
78.48
Supplementary Information
Récupération des détails…
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