1,3,6-tribromo-9-(oxiran-2-ylmethyl)-9H-carbazole

• ChemBase ID: 79802
• Molecular Formular: C15H10Br3NO
• Molecular Mass: 459.958
• Monoisotopic Mass: 456.83124995
• SMILES: n1(c2c(cc(cc2Br)Br)c2cc(ccc12)Br)CC1OC1
• Canonical SMILES: Brc1ccc2c(c1)c1cc(Br)cc(c1n2CC1CO1)Br
• InChI: InChI=1S/C15H10Br3NO/c16-8-1-2-14-11(3-8)12-4-9(17)5-13(18)15(12)19(14)6-10-7-20-10/h1-5,10H,6-7H2
• InChIKey: IMZAXSLZUQYAOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,6-tribromo-9-(oxiran-2-ylmethyl)-9H-carbazole
• IUPAC Traditional name: 1,3,6-tribromo-9-(oxiran-2-ylmethyl)carbazole
• Synonyms: 1,3,6-tribromo-9-(oxiran-2-ylmethyl)-9H-carbazole

Database IDs

• MDL Number: MFCD00218301
• PubChem SID: 162044565
• PubChem CID: 2775477

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.462086
• LogD (pH = 7.4): 5.462086
• Log P: 5.462086
• Molar Refractivity: 89.982 cm^3
• Polarizability: 36.831333 Å^3
• Polar Surface Area: 17.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false