Basic information
- Standard SMILES
O=C(O)c1ccc(Nc2ccnc3c(C(F)(F)F)cccc23)cc1- InChIKey
SDAADTKBVGFBMC-UHFFFAOYSA-N- Molecular formula
- C17H11F3N2O2
- Average molar mass
- 332.28 g/mol
Names & identifiers
- Preferred name
- 4-(8-Trifluoromethyl-4-quinolylamino)benzoic acid
- IUPAC
- 4-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
Names & synonyms
4-(8-Trifluoromethyl-4-quinolylamino)benzoic acidSCHEMBL11241988AKOS002682225
Database identifiers
- PubChem CID
- 20520124
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 450
Related reactions
4 records
Compound notes
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