Basic information
- Standard SMILES
O=C(Cc1c(C(=O)O)[nH]c2ccccc12)c1ccccc1- InChIKey
WICKMMSTDDYMGA-UHFFFAOYSA-N- Molecular formula
- C17H13NO3
- Average molar mass
- 279.29 g/mol
Names & identifiers
- Preferred name
- 3-Phenacyl carboxy indole
- IUPAC
- 3-phenacyl-1H-indole-2-carboxylic acid
Names & synonyms
3-phenacyl carboxy indoleSCHEMBL5002301WICKMMSTDDYMGA-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 54431990
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
Related reactions
2 records
Compound notes
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