Chemical Properties of 4-Azachrysene (CAS 218-19-9)

InChI

InChI=1S/C17H11N/c1-2-4-14-12(3-1)5-8-16-15(14)7-6-13-9-10-18-11-17(13)16/h1-11H

InChI Key

XLASABQETKYXNT-UHFFFAOYSA-N

Formula

C17H11N

SMILES

c1ccc2c(c1)ccc1c3cnccc3ccc21

Molecular Weight¹

229.28

CAS

218-19-9

• 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	-6.65		Crippen Calculated Property
logPoct/wat	4.541		Crippen Calculated Property
McVol	178.230	ml/mol	McGowan Calculated Property
Inp	[401.16; 401.43]
Inp	401.43		NIST
Inp	401.16		NIST
Inp	401.16		NIST

Similar Compounds

Find more compounds similar to 4-Azachrysene.

Sources

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

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