Basic information
- Standard SMILES
Cc1[nH]c2ccc(Cl)cc2c1Sc1cccc(CC(=O)O)c1- InChIKey
YKSZVBJAAMYHFV-UHFFFAOYSA-N- Molecular formula
- C17H14ClNO2S
- Average molar mass
- 331.8 g/mol
Names & identifiers
- Preferred name
- [3-(5-Chloro-2-methyl-1H-indol-3-ylsulfanyl)-phenyl]-acetic acid
- IUPAC
- 2-[3-[(5-chloro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]acetic acid
Names & synonyms
SCHEMBL671848YKSZVBJAAMYHFV-UHFFFAOYSA-N[3-(5-Chloro-2-methyl-1H-indol-3-ylsulfanyl)-phenyl]-acetic acid
Database identifiers
- PubChem CID
- 66765396
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 408
Related reactions
2 records
Compound notes
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