6-chloro-3-phenylpyridazin-4-amine

• ChemBase ID: 85255
• Molecular Formular: C10H8ClN3
• Molecular Mass: 205.64362
• Monoisotopic Mass: 205.04067495
• SMILES: n1nc(cc(c1c1ccccc1)N)Cl
• Canonical SMILES: Clc1nnc(c(c1)N)c1ccccc1
• InChI: InChI=1S/C10H8ClN3/c11-9-6-8(12)10(14-13-9)7-4-2-1-3-5-7/h1-6H,(H2,12,13)
• InChIKey: QRBIZMKABNSGMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-phenylpyridazin-4-amine
• IUPAC Traditional name: 6-chloro-3-phenylpyridazin-4-amine
• Synonyms: 6-chloro-3-phenylpyridazin-4-amine

Database IDs

• MDL Number: MFCD00832460
• PubChem SID: 162072371
• PubChem CID: 2784940

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.8041493
• Log P: 1.804175
• Molar Refractivity: 59.0951 cm^3
• Polarizability: 22.575844 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.802135