Basic information
- Standard SMILES
O=C(O)c1cccc(NCc2cccs2)c1C(=O)O- InChIKey
IRQNCTAASVHVKL-UHFFFAOYSA-N- Molecular formula
- C13H11NO4S
- Average molar mass
- 277.3 g/mol
Names & identifiers
- Preferred name
- 3-[(Thiophen-2-ylmethyl)-amino]-phthalic acid
- IUPAC
- 3-(thiophen-2-ylmethylamino)phthalic acid
Names & synonyms
SCHEMBL2383458IRQNCTAASVHVKL-UHFFFAOYSA-N3-[(Thiophen-2-ylmethyl)-amino]-phthalic acid
Database identifiers
- PubChem CID
- 21988596
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 350
Related reactions
6 records
Compound notes
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