6-(2,3-dichlorophenyl)-N,N-dimethylpyridazin-3-amine

• ChemBase ID: 591559
• Molecular Formular: C12H11Cl2N3
• Molecular Mass: 268.14184
• Monoisotopic Mass: 267.03300273
• SMILES: c1(c(c(Cl)ccc1)Cl)c1nnc(N(C)C)cc1
• Canonical SMILES: CN(c1ccc(nn1)c1cccc(c1Cl)Cl)C
• InChI: InChI=1S/C12H11Cl2N3/c1-17(2)11-7-6-10(15-16-11)8-4-3-5-9(13)12(8)14/h3-7H,1-2H3
• InChIKey: BYCCWPCKUPBUCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,3-dichlorophenyl)-N,N-dimethylpyridazin-3-amine
• IUPAC Traditional name: 6-(2,3-dichlorophenyl)-N,N-dimethylpyridazin-3-amine
• Synonyms: 6-(2,3-dichlorophenyl)-N,N-dimethylpyridazin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7156744
• LogD (pH = 7.4): 3.7194219
• Log P: 3.7194698
• Molar Refractivity: 72.8803 cm^3
• Polarizability: 28.08522 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.12
• LOG S: -3.82
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 2