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Basic information
- Standard SMILES
COC(=O)c1ccc2c(C3CCCCC3)c[nH]c2c1Cl- InChIKey
JTPWWUSWICRFKO-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO2
- Average molar mass
- 291.77 g/mol
- Monoisotopic mass
- 291.1026065
Names & identifiers
- Preferred name
- methyl 7-chloro-3-cyclohexyl-1H-indole-6-carboxylate
- IUPAC
- methyl 7-chloro-3-cyclohexyl-1H-indole-6-carboxylate
Names & synonyms
SCHEMBL2290536JTPWWUSWICRFKO-UHFFFAOYSA-Nmethyl 7-chloro-3-cyclohexyl-1H-indole-6-carboxylate
Database identifiers
- PubChem CID
- 59802485
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Related reactions
3 records
Compound notes
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