SMILES:
CC(C)(C)c1nc2cc(S(=O)(=O)n3ccc(C(=O)O)c3)ccc2n1CC1CCOCC1Molecular Processing
Molecular formula
C22H27N3O5S
Molecular weight
445.54
Exact mass
445.1671
XLogP
3.5
TPSA
103.42
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
115.95
Supplementary Information
Details werden geladen…
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