COc1ccc(CSC2CC(C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1
SMILES: COc1ccc(CSC2CC(C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1

Molecular Processing

Molecular formula
C18H25NO5S
Molecular weight
367.47
Exact mass
367.1453
XLogP
3.39
TPSA
76.07
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
25
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
0.556
Molar refractivity
97.06

Supplementary Information

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