2,4-dichloro-6-({2-[(2-hydroxyphenyl)methylidene]hydrazin-1-ylidene}methyl)phenol

• ChemBase ID: 85447
• Molecular Formular: C14H10Cl2N2O2
• Molecular Mass: 309.1474
• Monoisotopic Mass: 308.01193293
• SMILES: N(=C\c1c(c(cc(c1)Cl)Cl)O)/N=C/c1ccccc1O
• Canonical SMILES: Clc1cc(/C=N/N=C/c2ccccc2O)c(c(c1)Cl)O
• InChI: InChI=1S/C14H10Cl2N2O2/c15-11-5-10(14(20)12(16)6-11)8-18-17-7-9-3-1-2-4-13(9)19/h1-8,19-20H
• InChIKey: UZPXSDYIXBDMTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-({2-[(2-hydroxyphenyl)methylidene]hydrazin-1-ylidene}methyl)phenol
• IUPAC Traditional name: 2,4-dichloro-6-({2-[(2-hydroxyphenyl)methylidene]hydrazin-1-ylidene}methyl)phenol
• Synonyms: 2,4-dichloro-6-[2-(2-hydroxybenzylidene)carbohydrazonoyl]phenol

Database IDs

• MDL Number: MFCD00832555
• PubChem SID: 162072563
• PubChem CID: 5712217

CALCULATED PROPERTIES

• Acid pKa: 6.658708
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.012305
• LogD (pH = 7.4): 3.2273905
• Log P: 4.041217
• Molar Refractivity: 81.3696 cm^3
• Polarizability: 30.044962 Å^3
• Polar Surface Area: 65.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true