Basic information
- Standard SMILES
CC1=Nc2cc(I)c(I)c(I)c2C1(C)CCCCCC(=O)O- InChIKey
QBFCKKSOZUEYPY-UHFFFAOYSA-N- Molecular formula
- C16H18I3NO2
- Average molar mass
- 637.03 g/mol
Names & identifiers
- Preferred name
- 6-(4,5,6-triiodo-2,3-dimethyl-3H-3-indolyl)hexanoic acid
- IUPAC
- 6-(4,5,6-triiodo-2,3-dimethylindol-3-yl)hexanoic acid
Names & synonyms
SCHEMBL15227750QBFCKKSOZUEYPY-UHFFFAOYSA-N6-(4,5,6-triiodo-2,3-dimethyl-3H-3-indolyl)hexanoic acid
Database identifiers
- PubChem CID
- 71736166
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 457
Related reactions
8 records
Compound notes
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