Chemical Properties of 10-Azabenzo[a]pyrene

InChI

InChI=1S/C19H11N/c1-2-4-15-13(3-1)11-14-6-5-12-9-10-20-17-8-7-16(15)18(14)19(12)17/h1-11H

InChI Key

PBJQMIJLHFAYGZ-UHFFFAOYSA-N

Formula

C19H11N

SMILES

c1ccc2c(c1)cc1ccc3ccnc4ccc2c1c34

Molecular Weight¹

253.30

• 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	-7.87		Crippen Calculated Property
logPoct/wat	5.132		Crippen Calculated Property
McVol	191.250	ml/mol	McGowan Calculated Property
Inp	[454.57; 455.40]
Inp	454.57		NIST
Inp	455.40		NIST
Inp	455.40		NIST
Inp	454.57		NIST
Inp	455.40		NIST

Similar Compounds

Find more compounds similar to 10-Azabenzo[a]pyrene.

Sources

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

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