Basic information
- Standard SMILES
CCCCSc1cc(C(=O)O)cc(N)c1Oc1ccccc1- InChIKey
BALQAUZJBKLAQG-UHFFFAOYSA-N- Molecular formula
- C17H19NO3S
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.10856464
Names & identifiers
- Preferred name
- 5-Amino-3-n-butylthio-4-phenoxybenzoic acid
- IUPAC
- 3-amino-5-butylsulfanyl-4-phenoxybenzoic acid
Names & synonyms
BALQAUZJBKLAQG-UHFFFAOYSA-N5-Amino-3-n-butylthio-4-phenoxybenzoic acid
Database identifiers
- PubChem CID
- 53671865
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 347
Related reactions
2 records
Compound notes
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