SMILES:
CC(C)(C)OC(=O)N1CC=C(c2cccs2)C1Molecular Processing
Molecular formula
C13H17NO2S
Molecular weight
251.35
Exact mass
251.098
XLogP
3.38
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
70.1
Supplementary Information
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