Metabolite N-Acetyl-5-hydroxytryptamine

Name
N-Acetyl-5-hydroxytryptamine
HMDB ID
HMDB01238
Description
Not Available
Structure
Thumb
CAS number
Not Available
Weight
Average: 218.2518
Monoisotopic: 218.105527702
Chemical Formula
C12H14N2O2
InChI Key
MVAWJSIDNICKHF-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
IUPAC Name
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
SMILES
CC(=O)NCCC1=CNC2=C1C=C(O)C=C2
Reactions
Predicted Properties
PropertyValueSource
Water Solubility0.569 mg/mLALOGPS
logP0.98ALOGPS
logP1ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)9.56ChemAxon
pKa (Strongest Basic)-0.94ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area65.12 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity61.8 m3·mol-1ChemAxon
Polarizability23.59 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon