trivial
XLR-12
systemic
(2,2,3,3-Tetramethylcyclopropyl)[1-(4,4,4-trifluorobutyl)-1H-indol-3-yl]methanone
XLR-12
systemic
(2,2,3,3-Tetramethylcyclopropyl)[1-(4,4,4-trifluorobutyl)-1H-indol-3-yl]methanone
Identifiers
InChIKey: PEXYKZYTXIEEOB-UHFFFAOYSA-N
Formula: C20H24F3NO
CAS Registry numbers:
895155-78-9
Descriptors
Bioavailability-related
Molecular weight: 351.18 DaPartition coefficient: 5.85
H bond donors: 0
H bond acceptors: 2
Rotatable bonds: 6
Molar refractivity: 92.61 J mol-1 K-1
Polar surface area: 22.00 Å2
Generic
Stereocenters: 0Heteroatoms: 5
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 0
Ring-related
Rings: 3Heterocycles: 1
Aromatic rings: 2
Aromatic carbocycles: 1
Aromatic heterocycles: 1
Aliphatic rings: 1
Aliphatic carbocycles: 1
Aliphatic heterocycles: 0