Basic information
- Standard SMILES
O=c1[nH]nc(Cl)c2cc(NCc3cc(Cl)cc(Cl)c3)ccc12- InChIKey
KOTRQGIZXUVYFG-UHFFFAOYSA-N- Molecular formula
- C15H10Cl3N3O
- Average molar mass
- 354.6 g/mol
Names & identifiers
- Preferred name
- 4-chloro-6-(3,5-dichloro-benzylamino)-2H-phthalazin-1-one
- IUPAC
- 4-chloro-6-[(3,5-dichlorophenyl)methylamino]-2H-phthalazin-1-one
Names & synonyms
SCHEMBL2459008KOTRQGIZXUVYFG-UHFFFAOYSA-N4-chloro-6-(3,5-dichloro-benzylamino)-2H-phthalazin-1-one
Database identifiers
- PubChem CID
- 24948534
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 449
Related reactions
3 records
Compound notes
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