Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data from IUCLID4 dataset: Calculated via QSAR
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
secondary source
Title:
Unnamed
Year:
2000

Materials and methods

Principles of method if other than guideline:
Method: other (calculated): Leo, A.: CLOGP-3.54 MedChem Software 1989. Daylight, Chemical Information Systems, Claremont, CA 91711, USA
GLP compliance:
no
Remarks:
calculated value
Type of method:
other: calculated via QSAR
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Sodium hydrogen 4-amino-5-hydroxynaphthalene-2,7-disulphonate
EC Number:
226-736-4
EC Name:
Sodium hydrogen 4-amino-5-hydroxynaphthalene-2,7-disulphonate
Cas Number:
5460-09-3
Molecular formula:
C10H8NO7S2.Na
IUPAC Name:
sodium hydrogen 4-amino-5-hydroxynaphthalene-2,7-disulfonate

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-2.3
Remarks on result:
other: calculated

Applicant's summary and conclusion

Executive summary:

Calculated log Pow = -2.3