SMILES:
CC(C)C1(C)SC(N[C@H]2CCCC[C@@H]2O)=NC1=OMolecular Processing
Molecular formula
C13H22N2O2S
Molecular weight
270.4
Exact mass
270.1402
XLogP
1.92
TPSA
61.69
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.846
Molar refractivity
74.67
Supplementary Information
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