trivial
CRL-40,940
CRL-40940
systemic
(2-Amino-2-oxoethyl)[bis(4-fluorophenyl)methyl]sulfoniumolate
CRL-40,940
CRL-40940
systemic
(2-Amino-2-oxoethyl)[bis(4-fluorophenyl)methyl]sulfoniumolate
Identifiers
InChIKey: YEAQNUMCWMRYMU-UHFFFAOYSA-N
Formula: C15H13F2NO2S
CAS Registry numbers:
90280-13-0
Descriptors
Bioavailability-related
Molecular weight: 309.06 DaPartition coefficient: 2.29
H bond donors: 2
H bond acceptors: 3
Rotatable bonds: 5
Molar refractivity: 76.85 J mol-1 K-1
Polar surface area: 66.15 Å2
Generic
Stereocenters: 1Heteroatoms: 6
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 1
Ring-related
Rings: 2Heterocycles: 0
Aromatic rings: 2
Aromatic carbocycles: 2
Aromatic heterocycles: 0
Aliphatic rings: 0
Aliphatic carbocycles: 0
Aliphatic heterocycles: 0