COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2cccnn2)c1
SMILES: COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2cccnn2)c1

Molecular Processing

Molecular formula
C27H29N5O6S
Molecular weight
551.63
Exact mass
551.1839
XLogP
4.62
TPSA
134.65
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
39
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
144.07

Supplementary Information

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