CN(CCCSCc1ccc(C(F)(F)F)cc1)CCc1ccc(C2CC3(C)C(O)CCC3C3CCc4cc(O)ccc4C23)cc1
SMILES: CN(CCCSCc1ccc(C(F)(F)F)cc1)CCc1ccc(C2CC3(C)C(O)CCC3C3CCc4cc(O)ccc4C23)cc1

Molecular Processing

Molecular formula
C38H46F3NO2S
Molecular weight
637.85
Exact mass
637.3201
XLogP
8.82
TPSA
43.7
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
45
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
176.72

Supplementary Information

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