Basic information
- Standard SMILES
O=C(O)CCCCc1nc2c(F)c(F)cc(F)c2s1- InChIKey
GVRKGAKPDJTIMO-UHFFFAOYSA-N- Molecular formula
- C12H10F3NO2S
- Average molar mass
- 289.28 g/mol
Names & identifiers
- Preferred name
- 5-(4,5,7-Trifluorobenzothiazol-2-yl)pentanoic acid
- IUPAC
- 5-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)pentanoic acid
Names & synonyms
CHEMBL47152SCHEMBL8655720GVRKGAKPDJTIMO-UHFFFAOYSA-N5-(4,5,7-trifluorobenzothiazol-2-yl)pentanoic acid
Database identifiers
- PubChem CID
- 21463564
- ChEMBL
CHEMBL47152
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Related reactions
1 records
Compound notes
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