Dazoxiben hydrochlorideProduct ingredient for Dazoxiben

Name
Dazoxiben hydrochloride
Drug Entry
Dazoxiben
Accession Number
DBSALT002937
Structure
Synonyms
Dazoxiben HCl / Dazoxiben hydrochloride
External IDs
UK-37,248-01
UNII
G5AI939LWF
CAS Number
74226-22-5
Weight
Average: 268.7
Monoisotopic: 268.06147
Chemical Formula
C12H13ClN2O3
InChI Key
PVKDFUXBDJPRGU-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2O3.ClH/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14;/h1-6,9H,7-8H2,(H,15,16);1H
IUPAC Name
4-[2-(1H-imidazol-1-yl)ethoxy]benzoic acid hydrochloride
SMILES
Cl.OC(=O)C1=CC=C(OCCN2C=CN=C2)C=C1
ChemSpider
47884
ChEMBL
CHEMBL537708
Predicted Properties
PropertyValueSource
Water Solubility1.28 mg/mLALOGPS
logP1.44ALOGPS
logP0.61Chemaxon
logS-2.3ALOGPS
pKa (Strongest Acidic)4.36Chemaxon
pKa (Strongest Basic)6.49Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area64.35 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity61.72 m3·mol-1Chemaxon
Polarizability23.31 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon