Basic information
- Standard SMILES
O=C(O)c1ccc(NCc2ccc(C#CCO)cc2)cc1O- InChIKey
BFFUVFADGDVQRH-UHFFFAOYSA-N- Molecular formula
- C17H15NO4
- Average molar mass
- 297.3 g/mol
Names & identifiers
- Preferred name
- 2-Hydroxy-4-[4-(3-hydroxy-prop-1-ynyl)-benzylamino]-benzoic acid
- IUPAC
- 2-hydroxy-4-[[4-(3-hydroxyprop-1-ynyl)phenyl]methylamino]benzoic acid
Names & synonyms
SCHEMBL3299545BFFUVFADGDVQRH-UHFFFAOYSA-N2-Hydroxy-4-[4-(3-hydroxy-prop-1-ynyl)-benzylamino]-benzoic acid
Database identifiers
- PubChem CID
- 9971841
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
Related reactions
2 records
Compound notes
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