SMILES:
CC(C)(C)c1cc(-c2csc(SCC(=O)O)n2)cc(C(C)(C)C)c1OMolecular Processing
Molecular formula
C19H25NO3S2
Molecular weight
379.55
Exact mass
379.1276
XLogP
5.29
TPSA
70.42
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
104.97
Supplementary Information
Récupération des détails…
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