Metabolite (R)-Norfluoxetine

Name
(R)-Norfluoxetine
Description
Not Available
Structure
Thumb
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
External Links
ChemSpider
7973423
BindingDB
50254791
ChEMBL
CHEMBL446084
HET
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