Nombre: [S]-1-[3-(5-chloro-2-thenoyl)-2-methylpropionyl]-L-proline
SMILES:
CC(CC(=O)c1ccc(Cl)s1)C(=O)N1CCC[C@H]1C(=O)OMolecular Processing
Molecular formula
C14H16ClNO4S
Molecular weight
329.81
Exact mass
329.0489
XLogP
2.69
TPSA
74.68
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
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
79.81
Supplementary Information
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