1-nonyl-1H-indole

• ChemBase ID: 246737
• Molecular Formular: C17H25N
• Molecular Mass: 243.3871
• Monoisotopic Mass: 243.19869981
• SMILES: n1(ccc2c1cccc2)CCCCCCCCC
• Canonical SMILES: CCCCCCCCCn1ccc2c1cccc2
• InChI: InChI=1S/C17H25N/c1-2-3-4-5-6-7-10-14-18-15-13-16-11-8-9-12-17(16)18/h8-9,11-13,15H,2-7,10,14H2,1H3
• InChIKey: ZUPSYUPZEVMBDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-nonyl-1H-indole
• IUPAC Traditional name: 1-nonylindole
• Synonyms: 1-nonyl-1H-indole

Database IDs

• MDL Number: MFCD19529729
• PubChem SID: 164302647
• PubChem CID: 63810306

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.8424263
• LogD (pH = 7.4): 5.8424263
• Log P: 5.8424263
• Molar Refractivity: 78.9198 cm^3
• Polarizability: 32.187634 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 6.83

Product Information

• Purity: 95%