Basic information
- Standard SMILES
O=C(OCC(Cl)(Cl)Cl)n1c2c(c3ccccc31)CCNC2- InChIKey
JOXSNUBSZSENSB-UHFFFAOYSA-N- Molecular formula
- C14H13Cl3N2O2
- Average molar mass
- 347.6 g/mol
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-beta-carboline-9-carboxylic acid 2,2,2-trichloro-ethyl ester
- IUPAC
- 2,2,2-trichloroethyl 1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylate
Names & synonyms
SCHEMBL6790055JOXSNUBSZSENSB-UHFFFAOYSA-N1,2,3,4-Tetrahydro-beta-carboline-9-carboxylic acid 2,2,2-trichloro-ethyl ester
Database identifiers
- PubChem CID
- 69896166
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
Related reactions
2 records
Compound notes
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