Chemical Properties of 2-Azaoctahelicene

InChI

InChI=1S/C33H19N/c1-2-4-21-8-24-11-27-14-30-16-31-17-32-18-33-19-34-6-5-22(33)9-25(32)12-28(31)15-29(30)13-26(27)10-23(24)7-20(21)3-1/h1-19H

InChI Key

UJCSRZDEPGLBFD-UHFFFAOYSA-N

Formula

C33H19N

SMILES

c1ccc2cc3cc4cc5cc6cc7cc8cnccc8cc7cc6cc5cc4cc3cc2c1

Molecular Weight¹

429.51

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-13.87		Crippen Calculated Property
logPoct/wat	9.154		Crippen Calculated Property
McVol	325.830	ml/mol	McGowan Calculated Property
Inp	[3873.00; 3873.00]
Inp	3873.00		NIST
Inp	3873.00		NIST

Similar Compounds

Find more compounds similar to 2-Azaoctahelicene.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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