9-(2,5-dichlorobenzyl)-9H-beta-carboline-3-carboxylic acid acetate salt
Basic information
- Standard SMILES
CC(=O)O.O=C(O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1- InChIKey
ACANHPZWNRXWBX-UHFFFAOYSA-N- Molecular formula
- C21H16Cl2N2O4
- Average molar mass
- 431.3 g/mol
Names & identifiers
- Preferred name
- 9-(2,5-dichlorobenzyl)-9H-beta-carboline-3-carboxylic acid acetate salt
- IUPAC
- acetic acid;9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylic acid
Names & synonyms
SCHEMBL6222398ACANHPZWNRXWBX-UHFFFAOYSA-N9-(2,5-dichlorobenzyl)-9H-beta-carboline-3-carboxylic acid acetate salt
Database identifiers
- PubChem CID
- 69710340
Properties
Computed structural properties
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 537
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Related reactions
1 records
Compound notes
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