Basic information
- Standard SMILES
CSc1ccc2[nH]c(C)c(Oc3ccc(Cl)cc3)c2c1- InChIKey
UXMOEOCVFJYMNH-UHFFFAOYSA-N- Molecular formula
- C16H14ClNOS
- Average molar mass
- 303.8 g/mol
- Monoisotopic mass
- 303.0484629
Names & identifiers
- Preferred name
- 3-(4-chlorophenoxy)-2-methyl-5-(methylthio)-1H-indole
- IUPAC
- 3-(4-chlorophenoxy)-2-methyl-5-methylsulfanyl-1H-indole
Names & synonyms
SCHEMBL3372434UXMOEOCVFJYMNH-UHFFFAOYSA-N3-(4-chlorophenoxy)-2-methyl-5-(methylthio)-1H-indole
Database identifiers
- PubChem CID
- 68617147
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Related reactions
2 records
Compound notes
Loading…