CCCC(Cc1ccc(OCCN2CCCCCC2)cc1)(C(=O)OCC)S(=O)(=O)c1ccc(OC)cc1
SMILES: CCCC(Cc1ccc(OCCN2CCCCCC2)cc1)(C(=O)OCC)S(=O)(=O)c1ccc(OC)cc1

Molecular Processing

Molecular formula
C29H41NO6S
Molecular weight
531.72
Exact mass
531.2655
XLogP
5.07
TPSA
82.14
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.552
Molar refractivity
145

Supplementary Information

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