SMILES:
CCN[C@@H]1Cc2c(OCSC)cccc2[C@H]1OMolecular Processing
Molecular formula
C13H19NO2S
Molecular weight
253.37
Exact mass
253.1136
XLogP
1.95
TPSA
41.49
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
71.58
Supplementary Information
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