Metabolite Norpseudoephedrine

Name
Norpseudoephedrine
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
27A0HLC3HH
CAS number
Not Available
Weight
Average: 151.2056
Monoisotopic: 151.099714043
Chemical Formula
C9H13NO
InChI Key
DLNKOYKMWOXYQA-IONNQARKSA-N
InChI
InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m0/s1
IUPAC Name
(1S,2S)-2-amino-1-phenylpropan-1-ol
SMILES
C[C@H](N)[C@@H](O)C1=CC=CC=C1
Reactions
External Links
KEGG Compound
C08300
ChemSpider
390189
BindingDB
50405615
ChEBI
4109
ChEMBL
CHEMBL1412041
ZINC
ZINC000000001100
Wikipedia
Norpseudoephedrine
Predicted Properties
PropertyValueSource
Water Solubility20.6 mg/mLALOGPS
logP0.57ALOGPS
logP0.89ChemAxon
logS-0.87ALOGPS
pKa (Strongest Acidic)13.9ChemAxon
pKa (Strongest Basic)9.37ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area46.25 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity44.91 m3·mol-1ChemAxon
Polarizability16.88 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon