الاسم: hydroxy-(4-methylsulfanyl-phenyl)-acetic acid ethyl ester
SMILES:
CCOC(=O)C(O)c1ccc(SC)cc1Molecular Processing
Molecular formula
C11H14O3S
Molecular weight
226.3
Exact mass
226.0664
XLogP
2
TPSA
46.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
59.82
Supplementary Information
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