Basic information
- Standard SMILES
Cc1cc(/C(CC(c2ccc(Br)cc2)c2ccc(Cl)cc2F)=N/O)ccn1- InChIKey
OFWHOWGSHFZESL-YYADALCUSA-N- Molecular formula
- C21H17BrClFN2O
- Average molar mass
- 447.7 g/mol
- Monoisotopic mass
- 446.01968
Names & identifiers
- Preferred name
- (NE)-N-[3-(4-bromophenyl)-3-(4-chloro-2-fluorophenyl)-1-(2-methyl-4-pyridinyl)propylidene]hydroxylamine
- IUPAC
- (NE)-N-[3-(4-bromophenyl)-3-(4-chloro-2-fluorophenyl)-1-(2-methyl-4-pyridinyl)propylidene]hydroxylamine
Names & synonyms
SCHEMBL363736
Database identifiers
- PubChem CID
- 136166969
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 501
Related reactions
3 records
Compound notes
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