CC(=O)N1[C@@H](C(=O)O)C(C)(C)S[C@H]1c1ccc(Cl)cc1
SMILES: CC(=O)N1[C@@H](C(=O)O)C(C)(C)S[C@H]1c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C14H16ClNO3S
Molecular weight
313.81
Exact mass
313.0539
XLogP
3.17
TPSA
57.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
79.81

Supplementary Information

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