SMILES:
C=CC(=O)N1Cc2ccccc2SC(OC)C1Molecular Processing
Molecular formula
C13H15NO2S
Molecular weight
249.33
Exact mass
249.0823
XLogP
2.28
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
68.71
Supplementary Information
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