3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazine

• ChemBase ID: 123624
• Molecular Formular: C14H14Cl2N4
• Molecular Mass: 309.19376
• Monoisotopic Mass: 308.05955183
• SMILES: N1(c2nnc(cc2)Cl)CCN(c2cc(Cl)ccc2)CC1
• Canonical SMILES: Clc1ccc(nn1)N1CCN(CC1)c1cccc(c1)Cl
• InChI: InChI=1S/C14H14Cl2N4/c15-11-2-1-3-12(10-11)19-6-8-20(9-7-19)14-5-4-13(16)17-18-14/h1-5,10H,6-9H2
• InChIKey: GSXDEMFQZHOKLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazine
• IUPAC Traditional name: 3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazine
• Synonyms: 3-chloro-6-(4-(3-chlorophenyl)piperazin-1-yl)pyridazine

Database IDs

• PubChem SID: 162217977
• PubChem CID: 15124563

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.644602
• LogD (pH = 7.4): 3.6448085
• Log P: 3.6448112
• Molar Refractivity: 85.726 cm^3
• Polarizability: 30.887646 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true