CC(=O)SC(C(=O)c1ccc(Cl)s1)C(C)C(=O)N1CCCC1C(=O)O
SMILES: CC(=O)SC(C(=O)c1ccc(Cl)s1)C(C)C(=O)N1CCCC1C(=O)O

Molecular Processing

Molecular formula
C16H18ClNO5S2
Molecular weight
403.91
Exact mass
403.0315
XLogP
2.94
TPSA
91.75
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
97.25

Supplementary Information

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