Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCNc1ccc(C(=O)O)s1- InChIKey
BGFPGYWMHXMZHD-UHFFFAOYSA-N- Molecular formula
- C21H37NO2S
- Average molar mass
- 367.6 g/mol
Names & identifiers
- Preferred name
- 5-Hexadecylamino-2-thiophenecarboxylic acid
- IUPAC
- 5-(hexadecylamino)thiophene-2-carboxylic acid
Names & synonyms
CHEMBL284292SCHEMBL11181994BGFPGYWMHXMZHD-UHFFFAOYSA-N5-hexadecylamino-2-thiophenecarboxylic acid
Database identifiers
- PubChem CID
- 20503559
- ChEMBL
CHEMBL284292
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 325
Related reactions
2 records
Compound notes
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