2-hydroxy-5-(piperazin-1-yl)benzoic acid dihydrobromide

• ChemBase ID: 310245
• Molecular Formular: C11H16Br2N2O3
• Molecular Mass: 384.06434
• Monoisotopic Mass: 381.95276638
• SMILES: c1(cc(N2CCNCC2)ccc1O)C(=O)O.Br.Br
• Canonical SMILES: OC(=O)c1cc(ccc1O)N1CCNCC1.Br.Br
• InChI: InChI=1S/C11H14N2O3.2BrH/c14-10-2-1-8(7-9(10)11(15)16)13-5-3-12-4-6-13;;/h1-2,7,12,14H,3-6H2,(H,15,16);2*1H
• InChIKey: OCXWXOVDLJWTFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-5-(piperazin-1-yl)benzoic acid dihydrobromide
• IUPAC Traditional name: 2-hydroxy-5-(piperazin-1-yl)benzoic acid dihydrobromide
• Synonyms: 2-hydroxy-5-(1-piperazinyl)benzoic acid dihydrobromide

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.92479825
• LogD (pH = 7.4): -0.9339001
• Log P: -0.9230984
• Molar Refractivity: 60.4791 cm^3
• Polarizability: 22.591942 Å^3
• Polar Surface Area: 72.8 Å^2