Metabolite (R)-Norfluoxetine

Name
(R)-Norfluoxetine
Description
Not Available
Structure
Synonyms
Not Available
UNII
05UQ1299DN
CAS number
Not Available
Weight
Average: 295.305
Monoisotopic: 295.118398628
Chemical Formula
C16H16F3NO
InChI Key
WIQRCHMSJFFONW-OAHLLOKOSA-N
InChI
InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1
IUPAC Name
(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILES
[H]NC([H])([H])C([H])([H])[C@@]([H])(OC1=C([H])C([H])=C(C([H])=C1[H])C(F)(F)F)C1=C([H])C([H])=C([H])C([H])=C1[H]
Reactions
ChemSpider
7973423
BindingDB
50254791
ChEMBL
CHEMBL446084
ZINC
ZINC000001645453
PDBe Ligand
408
Predicted Properties
PropertyValueSource
Water Solubility0.00915 mg/mLALOGPS
logP3.8ALOGPS
logP3.74Chemaxon
logS-4.5ALOGPS
pKa (Strongest Basic)9.77Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area35.25 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity75.59 m3·mol-1Chemaxon
Polarizability28.13 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon