Basic information
- Standard SMILES
COc1ccc(-c2n[nH]c(=O)c3cc(Cl)ccc23)cc1- InChIKey
JAIOGEYJKMSFLS-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2O2
- Average molar mass
- 286.71 g/mol
- Monoisotopic mass
- 286.0509053
Names & identifiers
- Preferred name
- 7-chloro-4-(4-methoxyphenyl)-2H-phthalazin-1-one
- IUPAC
- 7-chloro-4-(4-methoxyphenyl)-2H-phthalazin-1-one
Names & synonyms
SCHEMBL4834774JAIOGEYJKMSFLS-UHFFFAOYSA-N7-chloro-4-(4-methoxyphenyl)-2H-phthalazin-1-one
Database identifiers
- PubChem CID
- 69209508
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Related reactions
2 records
Compound notes
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