7,12-dihydro-1-azatetraphene-7,12-dione

• ChemBase ID: 184111
• Molecular Formular: C17H9NO2
• Molecular Mass: 259.25886
• Monoisotopic Mass: 259.06332853
• SMILES: c12C(=O)c3c(C(=O)c1ccc1c2nccc1)cccc3
• Canonical SMILES: O=C1c2ccccc2C(=O)c2c1ccc1c2nccc1
• InChI: InChI=1S/C17H9NO2/c19-16-11-5-1-2-6-12(11)17(20)14-13(16)8-7-10-4-3-9-18-15(10)14/h1-9H
• InChIKey: UYNKQQKKVBZTFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,12-dihydro-1-azatetraphene-7,12-dione
• IUPAC Traditional name: 1-azatetraphene-7,12-dione

Database IDs

• PubChem SID: 164240021
• PubChem CID: 2834683

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0763052
• LogD (pH = 7.4): 3.07636
• Log P: 3.0763607
• Molar Refractivity: 75.0723 cm^3
• Polarizability: 29.965422 Å^3
• Polar Surface Area: 47.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds