CC(C)(C)C1CCN(CC#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.O=S(=O)(O)O
SMILES: CC(C)(C)C1CCN(CC#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.O=S(=O)(O)O

Molecular Processing

Molecular formula
C20H25F6NO4S
Molecular weight
489.48
Exact mass
489.1408
XLogP
5.18
TPSA
77.84
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.6
Molar refractivity
106.12

Supplementary Information

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