Metabolite Norendoxifen

Name
Norendoxifen
HMDB ID
HMDB60615
Description
Not Available
Structure
Thumb
CAS number
Not Available
Weight
Average: 359.4608
Monoisotopic: 359.188529049
Chemical Formula
C24H25NO2
InChI Key
YCQBLTPGQSYLHD-VHXPQNKSSA-N
InChI
InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23-
IUPAC Name
4-[(1Z)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-en-1-yl]phenol
SMILES
CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN)C=C1)C1=CC=CC=C1
Reactions
Predicted Properties
PropertyValueSource
Water Solubility0.00141 mg/mLALOGPS
logP5.11ALOGPS
logP4.65ChemAxon
logS-5.4ALOGPS
pKa (Strongest Acidic)9.62ChemAxon
pKa (Strongest Basic)9.01ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area55.48 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity120.34 m3·mol-1ChemAxon
Polarizability41.26 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon