Basic information
- Standard SMILES
Nc1cc(NCc2ccco2)cc(C(=O)O)c1- InChIKey
CIMKSBUPRMTUQT-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
Names & identifiers
- Preferred name
- 3-amino-5-(N-furfurylamino)benzoic Acid
- IUPAC
- 3-amino-5-(furan-2-ylmethylamino)benzoic acid
Names & synonyms
SCHEMBL10793938CIMKSBUPRMTUQT-UHFFFAOYSA-N3-amino-5-(N-furfurylamino)benzoic Acid
Database identifiers
- PubChem CID
- 20217436
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
1 records
Compound notes
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