SMILES:
OC[C@H]1C[C@@H]2SC(N3CCC3)=N[C@@H]2[C@@H](O)[C@@H]1OMolecular Processing
Molecular formula
C11H18N2O3S
Molecular weight
258.34
Exact mass
258.1038
XLogP
-0.73
TPSA
76.29
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
66
Supplementary Information
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