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EC number: 204-279-1 | CAS number: 118-82-1
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Internationally accepted method.
- Principles of method if other than guideline:
- ACD/Labs, I-Lab 2.0 , Algorithm Version: v5.0.0.184
- GLP compliance:
- no
- Dissociating properties:
- not determined
- No.:
- #1
- pKa:
- 11
- Remarks on result:
- other: Strongest pKa(Acid): 11 ± 0.4. Calculated result obtained from calculation
- Conclusions:
- Strongest pKa(Acid): 11 ± 0.4
Strongest pKa(Base): No Base pKa - Executive summary:
Dissociation constant:
Strongest pKa(Acid): 11 ± 0.4
Strongest pKa(Base): No Base pKa
(ACD/Labs, I-Lab 2.0 , Algorithm Version: v5.0.0.184)
Reference
Strongest pKa(Acid): 11 ± 0.4
Strongest pKa(Base): No Base pKa
Description of key information
Key study: Estimated by calculation:
Dissociation constant:
Strongest pKa(Acid): 11 ± 0.4
Strongest pKa(Base): No Base pKa
(ACD/Labs, I-Lab 2.0 , Algorithm Version: v5.0.0.184)
Key value for chemical safety assessment
Additional information
Key study: Estimated by calculation:
Dissociation constant:
Strongest pKa(Acid): 11 ± 0.4
Strongest pKa(Base): No Base pKa
(ACD/Labs, I-Lab 2.0 , Algorithm Version: v5.0.0.184)
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