SMILES:
CC(C)(C)OC(=O)N1CC(O)C(CSCc2ccccc2)C1Molecular Processing
Molecular formula
C17H25NO3S
Molecular weight
323.46
Exact mass
323.1555
XLogP
3.15
TPSA
49.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
89.91
Supplementary Information
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