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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
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 adequate and reliable documentation / justification
Justification for type of information:
Internationally accepted calculation method EPI-SUITE EPA(USA)
1. SOFTWARE
EPI-SUITE EPA (USA)

2. MODEL (incl. version number)
WSKOW v1.42

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : NC(=O)NN(CL)(H)(H)H

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The QMRF is available in "Attached justification".

5. APPLICABILITY DOMAIN
The QPRF is available in “Attached justification”.

6. ADEQUACY OF THE RESULT
The QPRF is available in “Attached justification”.
Guideline:
other: Reach Guidance on QSARs R.6
Principles of method if other than guideline:
Calculation by EPI-SUITE WSKOW v1.42.
GLP compliance:
no
Specific details on test material used for the study:
SMILES:NC(=O)NN(CL)(H)(H)H
Key result
Water solubility:
ca. 1 000 000 mg/L
Temp.:
25 °C
Remarks on result:
other: QSAR predicted value.

WSKOW v 1.42 predicted that test item has value of water solubility 1000000 mg/L at the temperature of 25ºC.

Conclusions:
The estimated value of water solubility is 1000000 mg/L at the temperature of 25ºC (WSKOW v 1.42).
Executive summary:

The estimated value of water solubility is 1000000 mg/L at the temperature of 25ºC (WSKOW v 1.42).

Description of key information

Key study: Internationally accepted calculation method EPI-SUITE EPA(USA). The estimated value of water solubility is 1000000 mg/L at the temperature of 25ºC (WSKOW v 1.42).

Key value for chemical safety assessment

Water solubility:
1 000 000 mg/L
at the temperature of:
25 °C

Additional information

Key study: Internationally accepted calculation method EPI-SUITE EPA(USA).The estimated value of water solubility is 1000000 mg/L at the temperature of 25ºC (WSKOW v 1.42).