Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(I)c3cc(C(=O)O)ccc32)cc1- InChIKey
XFXSCRVHTPFABY-UHFFFAOYSA-N- Molecular formula
- C16H12INO4S
- Average molar mass
- 441.2 g/mol
- Monoisotopic mass
- 440.95318
Names & identifiers
- Preferred name
- 3-iodo-1-tosyl-1H-indole-5-carboxylic acid
- IUPAC
- 3-iodo-1-(4-methylphenyl)sulfonylindole-5-carboxylic acid
Names & synonyms
SCHEMBL12615971XFXSCRVHTPFABY-UHFFFAOYSA-N3-iodo-1-tosyl-1H-indole-5-carboxylic acid
Database identifiers
- PubChem CID
- 68328599
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 553
Related reactions
6 records
Compound notes
Loading…