CN(CCCS(=O)Cc1ccc(C(F)(F)F)cc1)CCc1ccc(C2CC3(C)C(O)CCC3C3CCc4cc(O)ccc4C23)cc1
SMILES: CN(CCCS(=O)Cc1ccc(C(F)(F)F)cc1)CCc1ccc(C2CC3(C)C(O)CCC3C3CCc4cc(O)ccc4C23)cc1

Molecular Processing

Molecular formula
C38H46F3NO3S
Molecular weight
653.85
Exact mass
653.315
XLogP
7.84
TPSA
60.77
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
46
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
177.27

Supplementary Information

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