이름: 2-(5-fluoro-1-methanesulfonyl-6-trifluoromethyl-1H-indol-2-yl)-1-(2,2,2-trifluoro-ethylsulfanyl)-butan-2-ol
SMILES:
CCC(O)(CSCC(F)(F)F)c1cc2cc(F)c(C(F)(F)F)cc2n1S(C)(=O)=OMolecular Processing
Molecular formula
C16H16F7NO3S2
Molecular weight
467.43
Exact mass
467.046
XLogP
4.5
TPSA
59.3
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
94.71
Supplementary Information
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