Basic information
- Standard SMILES
CCCCCCCCC(O)C=CC=Cc1cccc(Br)n1- InChIKey
HPNWIEJTOOXLPU-UHFFFAOYSA-N- Molecular formula
- C18H26BrNO
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 351.11978
Names & identifiers
- Preferred name
- 1-(6-Bromo-2-pyridinyl)trideca-1,3-dien-5-ol
- IUPAC
- 1-(6-bromo-2-pyridinyl)trideca-1,3-dien-5-ol
Names & synonyms
SCHEMBL8891391
Database identifiers
- PubChem CID
- 53889591
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 304
Related reactions
1 records
Compound notes
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