SMILES:
COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)nc(C(=O)O)nc2OCCO)c1Molecular Processing
Molecular formula
C24H27N3O8S
Molecular weight
517.56
Exact mass
517.1519
XLogP
3.45
TPSA
157.17
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
36
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
130.59
Supplementary Information
Details werden geladen…
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