Registration Dossier
Registration Dossier
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EC number: 606-190-7 | CAS number: 18978-78-4
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Data source
Reference
- Reference Type:
- other: QSAR-tool
- Title:
- Estimation Program Interface EPI Suite (TM) v4.11: KOCWIN Program (v2.00)
- Author:
- United States Environmental Protection Agency, Washington, DC, USA.
- Bibliographic source:
- http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Materials and methods
- Principles of method if other than guideline:
- KOCWIN estimates Koc using the Molecular Connectivity Index (MCI). Fragment corrections are applied the estimation method.
- GLP compliance:
- no
Results and discussion
Adsorption coefficient
- Key result
- Sample No.:
- #1
- Type:
- Koc
- Value:
- 4 056 L/kg
- Remarks on result:
- other: calculated
Any other information on results incl. tables
KOCWIN Program (v2.00) Results:
==============================
SMILES : Cc1nc2c(cccc2N)cc1
CHEM :
MOL FOR: C10 H10 N2
MOL WT : 158.20
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 5.771
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 3.6081
Fragment Correction(s) --> NONE : ---
Corrected Log Koc .................................. : 3.6081
Estimated Koc: 4056 L/kg <===========
Applicant's summary and conclusion
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
