Nombre: α-mercaptomethyl-β-phenyl-γ-butyrolactone
SMILES:
O=C1OCC(c2ccccc2)C1CSMolecular Processing
Molecular formula
C11H12O2S
Molecular weight
208.28
Exact mass
208.0558
XLogP
1.87
TPSA
26.3
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
57.49
Supplementary Information
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