SMILES:
COC(=O)c1ccc2c(c1)C(SCCO)c1ccccc1CO2Molecular Processing
Molecular formula
C18H18O4S
Molecular weight
330.41
Exact mass
330.0926
XLogP
3.18
TPSA
55.76
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
89.94
Supplementary Information
Récupération des détails…
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