6-imino-5,6-dihydrophenanthridin-5-amine

• ChemBase ID: 83703
• Molecular Formular: C13H11N3
• Molecular Mass: 209.24654
• Monoisotopic Mass: 209.09529737
• SMILES: n1(c(=N)c2ccccc2c2c1cccc2)N
• Canonical SMILES: N=c1c2ccccc2c2c(n1N)cccc2
• InChI: InChI=1S/C13H11N3/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)16(13)15/h1-8,14H,15H2
• InChIKey: MCXVODRTRMZXFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-imino-5,6-dihydrophenanthridin-5-amine
• IUPAC Traditional name: 6-iminophenanthridin-5-amine
• Synonyms: 6-imino-5,6-dihydrophenanthridin-5-amine

Database IDs

• MDL Number: MFCD00176840
• PubChem SID: 162070820
• PubChem CID: 2780767

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6417056
• LogD (pH = 7.4): 2.0515137
• Log P: 2.2532194
• Molar Refractivity: 86.4599 cm^3
• Polarizability: 25.746899 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true