2-But-3-enyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid;2,2,2-trifluoroacetic acid
Basic information
- Standard SMILES
C=CCCN1CCc2c([nH]c3ccccc23)C1C(=O)O.O=C(O)C(F)(F)F- InChIKey
TZUKHKKASKPXKK-UHFFFAOYSA-N- Molecular formula
- C18H19F3N2O4
- Average molar mass
- 384.3 g/mol
- Monoisotopic mass
- 384.12969158
Names & identifiers
- Preferred name
- 2-But-3-enyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid;2,2,2-trifluoroacetic acid
- IUPAC
- 2-but-3-enyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid;2,2,2-trifluoroacetic acid
Names & synonyms
NSC620058CHEMBL1977549NSC-620058
Database identifiers
- PubChem CID
- 359308
- ChEMBL
CHEMBL1977549
Properties
Computed structural properties
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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