Molecular topology and aqueous solubility of aliphatic alcohols.

Abstract:

:A physically based method for arriving at topological indexes is described. The derived indexes correlate with molecular surface areas and with the molecular connectivity index. The newly derived index seems to account better for the expected distinctions among primary, secondary, and tertiary alcohol aqueous solubilities. This study suggests that the Del Re method for calculating molecular charges and dipole moments also may be used, without appreciable change, to provide estimates of molecular refraction.

journal_name

J Pharm Sci

authors

Cammarata A

doi

10.1002/jps.2600680713

subject

Has Abstract

pub_date

1979-07-01 00:00:00

pages

839-42

issue

7

eissn

0022-3549

issn

1520-6017

pii

S0022-3549(15)42717-0

journal_volume

68

pub_type

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