Basic information
- Standard SMILES
CCCCC(=O)c1cc2cc(Cl)ccc2[nH]1- InChIKey
WDYFHNRWECNPMS-UHFFFAOYSA-N- Molecular formula
- C13H14ClNO
- Average molar mass
- 235.71 g/mol
- Monoisotopic mass
- 235.0763918
Names & identifiers
- Preferred name
- 1-(5-chloro-1H-indol-2-yl)pentan-1-one
- IUPAC
- 1-(5-chloro-1H-indol-2-yl)pentan-1-one
Names & synonyms
SCHEMBL2642778WDYFHNRWECNPMS-UHFFFAOYSA-N1-(5-chloro-1H-indol-2-yl)pentan-1-one
Database identifiers
- PubChem CID
- 67482188
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Related reactions
2 records
Compound notes
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