SMILES:
CC(C)C(O)CCC(CS)C(=O)N1CCC[C@H]1C(=O)OMolecular Processing
Molecular formula
C14H25NO4S
Molecular weight
303.42
Exact mass
303.1504
XLogP
1.41
TPSA
77.84
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
20
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
79.79
Supplementary Information
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