SMILES:
CN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OCC#Cc2ccc(Cl)cc2)cc1Molecular Processing
Molecular formula
C22H24ClNO5S
Molecular weight
449.96
Exact mass
449.1064
XLogP
3.73
TPSA
72.91
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
115.93
Supplementary Information
Details werden geladen…
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