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Physical & Chemical properties

Dissociation constant

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Reference
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

Strongest pKa(Acid): 11 ± 0.4


Strongest pKa(Base): No Base pKa

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)

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)