Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
other: collection of data
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data

Data source

Referenceopen allclose all

Reference Type:
other: collection of data
Title:
LogKow Database
Author:
J. Sangster
Bibliographic source:
J. Sangster, LOGKOW – a Databank of Evaluated Octanol-Water Partition Coefficients, Sangster Research Laboratories, Montreal (1993).
Reference Type:
review article or handbook
Title:
Exploring QSAR - Hydrophobic, Electronic, and Steric Constants
Author:
Hansch, C., Leo, A., D. Hoekman
Year:
1995
Bibliographic source:
Washington, DC: American Chemical Society., 1995
Reference Type:
other: QSAR-tool
Title:
Estimation Program Interface EPI Suite (TM) v4.11: KOWWIN v. 1.68 for estimation of log Kow
Author:
United States Environmental Protection Agency, Washington, DC, USA.
Bibliographic source:
http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

Materials and methods

Partition coefficient type:
octanol-water

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
-0.14

Any other information on results incl. tables

KOWWIN Program (v1.68) Results:

===============================

 

Log Kow(version 1.68 estimate): 0.01

 

Experimental Database Structure Match:

Name    : BENZENESULFONIC ACID HYDRAZIDE

CAS Num : 000080-17-1

Exp Log P: -0.14

Exp Ref : HANSCH,C ET AL.(1995)

 

SMILES : c1ccc(cc1)S(=O)(=O)NN

CHEM  : Benzenesulphonohydrazide

MOL FOR: C6 H8 N2 O2 S1

MOL WT : 172.20

-------+-----+--------------------------------------------+---------+--------

TYPE | NUM |       LOGKOW FRAGMENT DESCRIPTION        | COEFF | VALUE

-------+-----+--------------------------------------------+---------+--------

Frag | 1 | -NH2   [aliphatic attach]               |-1.4148 | -1.4148

Frag | 1 | -NH-   [aliphatic attach]               |-1.4962 | -1.4962

Frag | 6 | Aromatic Carbon                          | 0.2940 | 1.7640

Frag | 1 | -SO2-N  [aromatic attach]               |-0.2079 | -0.2079

Factor| 1 | -NH-NH- structure correction           | 1.1330 | 1.1330

Const |    | Equation Constant                        |        | 0.2290

-------+-----+--------------------------------------------+---------+--------

Log Kow  =  0.0071

Applicant's summary and conclusion