Registration Dossier

Diss Factsheets

Physical & Chemical properties

Water solubility

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Remarks:
ALOGPS (interactive on-line prediction of logP, water solubility and pKa(s) of compounds for drug design)
Justification for type of information:
SOFTWARE: Virtual Computational Chemistry Laboratory - ALOGPS
MODEL (incl. version number): ALOGPS 2.1.
ADEQUACY OF THE RESULT: The prediction is used the Human Metabolome Database (HMDB) database (version 4.0).
Principles of method if other than guideline:
ALOGPS (interactive on-line prediction of logP, water solubility and pKa(s) of compounds for drug design)
Key result
Water solubility:
0.17 g/L
Remarks on result:
other: As the values is a prediction, no pH and temeprature is available
Conclusions:
The substance is poorly soluble in water.

Description of key information

The substance is poorly soluble in water.

Key value for chemical safety assessment

Water solubility:
0.17 g/L
at the temperature of:
20 °C

Additional information

As the water solubility is predicted, the temperature can be estimated to be ambient.