SMILES:
CC1(C)SC(c2ccc(O)cc2)N[C@H]1C(=O)OMolecular Processing
Molecular formula
C12H15NO3S
Molecular weight
253.32
Exact mass
253.0773
XLogP
1.96
TPSA
69.56
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
67.08
Supplementary Information
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