SMILES:
O=C(N[C@@H](CS)C(=O)O)C(CS)Cc1ccccc1Molecular Processing
Molecular formula
C13H17NO3S2
Molecular weight
299.42
Exact mass
299.065
XLogP
1.27
TPSA
66.4
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
80.91
Supplementary Information
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