SMILES:
COCOc1cc(O)ccc1CCNS(=O)(=O)c1cc(C#N)ccc1OCMolecular Processing
Molecular formula
C18H20N2O6S
Molecular weight
392.43
Exact mass
392.1042
XLogP
1.78
TPSA
117.88
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
97.21
Supplementary Information
Details werden geladen…
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