Metabolite 1-Nahthalenethanol

Name
1-Nahthalenethanol
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
4L2MEJ1Q34
CAS number
Not Available
Weight
Average: 158.1965
Monoisotopic: 158.073164942
Chemical Formula
C11H10O
InChI Key
PBLNHHSDYFYZNC-UHFFFAOYSA-N
InChI
InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2
IUPAC Name
naphthalen-1-ylmethanol
SMILES
OCC1=CC=CC2=CC=CC=C12
Reactions
External Links
Human Metabolome Database
HMDB0060322
KEGG Compound
C14089
ChemSpider
19669
ChEBI
38137
ChEMBL
CHEMBL1288
Predicted Properties
PropertyValueSource
Water Solubility0.34 mg/mLALOGPS
logP2.17ALOGPS
logP2.2ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)15.14ChemAxon
pKa (Strongest Basic)-2.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity49.32 m3·mol-1ChemAxon
Polarizability17.55 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon