Basic information
- Standard SMILES
CCC(O)C#Cc1c(F)ccc2c1C(=Cc1ccc[nH]1)C(=O)N2- InChIKey
XXKPBJLBXUMMLR-UHFFFAOYSA-N- Molecular formula
- C18H15FN2O2
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.11175589
Names & identifiers
- Preferred name
- 5-fluoro-4-(3-hydroxypent-1-ynyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
- IUPAC
- 5-fluoro-4-(3-hydroxypent-1-ynyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
Names & synonyms
SCHEMBL6980068
Database identifiers
- PubChem CID
- 54493477
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 562
Related reactions
2 records
Compound notes
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