Registration Dossier

Administrative data

Endpoint:
additional ecotoxicological information
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Title:
Unnamed
Year:
2014

Materials and methods

Test guideline
Guideline:
other: QSAR
GLP compliance:
not specified

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Any other information on results incl. tables

KOCWIN Program (v2.00) Results:

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

SMILES : O=C(c(cccc1)c1)c(c(O)cc(O)c2)c2

CHEM : Methanone, (2,4-dihydroxyphenyl)phenyl-

MOL FOR: C13 H10 O3

MOL WT : 214.22

--------------------------- KOCWIN v2.00 Results ---------------------------

Koc Estimate from MCI:

---------------------

First Order Molecular Connectivity Index ........... : 7.682

Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 4.6042

Fragment Correction(s):

1 Ketone (-C-CO-C-) ................... : -1.1290

2 Aromatic Hydroxy (aromatic-OH) ....... : -0.1932

Corrected Log Koc .................................. : 3.2819

Estimated Koc: 1914 L/kg <===========

Koc Estimate from Log Kow:

-------------------------

Log Kow (Kowwin estimate) ......................... : 2.96

Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 2.5624

Fragment Correction(s):

1 Ketone (-C-CO-C-) ................... : 0.1956

2 Aromatic Hydroxy (aromatic-OH) ....... : 0.3337

Corrected Log Koc .................................. : 3.0917

Estimated Koc: 1235 L/kg <===========

Applicant's summary and conclusion