Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCNc1ccc(C(=O)OCC(O)CO)c(F)c1- InChIKey
JWIAYRHUIWJGIE-UHFFFAOYSA-N- Molecular formula
- C26H44FNO4
- Average molar mass
- 453.6 g/mol
Names & identifiers
- Preferred name
- 2,3-Dihydroxypropyl 2-fluoro-4-(hexadecylamino)benzoate
- IUPAC
- 2,3-dihydroxypropyl 2-fluoro-4-(hexadecylamino)benzoate
Names & synonyms
SCHEMBL11257344JWIAYRHUIWJGIE-UHFFFAOYSA-N2,3-dihydroxypropyl 2-fluoro-4-(hexadecylamino)benzoate
Database identifiers
- PubChem CID
- 20536504
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 21
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 452
Related reactions
3 records
Compound notes
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