SMILES:
O=C(O)C[C@H](NC(=O)C(CS)Cc1ccccc1)C(=O)OMolecular Processing
Molecular formula
C14H17NO5S
Molecular weight
311.36
Exact mass
311.0827
XLogP
0.82
TPSA
103.7
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
79.31
Supplementary Information
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