Registration Dossier
Registration Dossier
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EC number: 200-745-3 | CAS number: 71-00-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- QSAR using an accepted calculation method. The assessed substance is within the domain of the QSAR.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- No information available on test method.
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- -3.32
- Remarks on result:
- other: Chmelik, J et al. (1991)
- Conclusions:
- Log Kow: -3.32
The partition coefficient was retrieved from EpiSuite's WSKOW model. - Executive summary:
The partition coefficient was retrieved from EpiSuite's WSKOW model and the Log Kow found to be -3.32.
L-histidine is considered to be inside the applicability domain of the EpiSuite WSKOW model since the following criteria are fulfilled:
- the molecular weight of L-histidine is within the molecular weight range of the training set
- L-histidine is within the water solubility and log Kow range of the training set
- all functional groups present in L-histidine are represented in the training set and have a fragment coefficient available
Reference
Description of key information
Log Kow: -3.32 (estimated via QSAR)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -3.32
- at the temperature of:
- 25 °C
Additional information
The partition coefficient was estimated by EpiSuite's WSKOW model and the Log Kow found to be -3.32.
The suitability of the model was assessed and it was concluded that L-histidine is considered to be inside the applicability domain of the EpiSuite WSKOW model.
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