Nombre: compound 22.3
SMILES:
CCOC(=O)COc1ccc(S)c2c1CCCC2Molecular Processing
Molecular formula
C14H18O3S
Molecular weight
266.36
Exact mass
266.0977
XLogP
2.8
TPSA
35.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
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
0.5
Molar refractivity
72.46
Supplementary Information
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