Basic information
- Standard SMILES
COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(N3CCCC3C(=O)O)c2)cc1- InChIKey
LPSDGUSJHXOIQJ-UHFFFAOYSA-N- Molecular formula
- C25H23F2NO4
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 439.15951454
Names & identifiers
- Preferred name
- 1-[3-[[4-(4,5-Difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]pyrrolidine-2-carboxylic acid
- IUPAC
- 1-[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]phenyl]pyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL1766725
Database identifiers
- PubChem CID
- 67153741
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 615
Related reactions
1 records
Compound notes
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