Basic information
- Standard SMILES
O=c1[nH]nc(Cl)cc1-c1cc2ccccc2[nH]1- InChIKey
GUTBCZDNRQANPG-UHFFFAOYSA-N- Molecular formula
- C12H8ClN3O
- Average molar mass
- 245.66 g/mol
- Monoisotopic mass
- 245.0355896
Names & identifiers
- Preferred name
- 6-Chloro-4-(1H-indol-2-yl)-2H-pyridazin-3-one
- IUPAC
- 3-chloro-5-(1H-indol-2-yl)-1H-pyridazin-6-one
Names & synonyms
SCHEMBL3425017GUTBCZDNRQANPG-UHFFFAOYSA-NDB-1971076-Chloro-4-(1h-indol-2-yl)-3(2h)-pyridazinone6-Chloro-4-(1H-indol-2-yl)-2H-pyridazin-3-one870099-44-8
Database identifiers
- PubChem CID
- 135961886
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 405
Related reactions
1 records
Compound notes
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