COc1ccc2cc([C@H](C)C(=O)OCCN(CCO)S(=O)(=O)c3ccc(C)cc3)ccc2c1
SMILES: COc1ccc2cc([C@H](C)C(=O)OCCN(CCO)S(=O)(=O)c3ccc(C)cc3)ccc2c1

Molecular Processing

Molecular formula
C25H29NO6S
Molecular weight
471.58
Exact mass
471.1716
XLogP
3.49
TPSA
93.14
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
126.9

Supplementary Information

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