Basic information
- Standard SMILES
CC(C#N)n1cc(-c2ccc(C#N)c(F)c2)c2ccc([N+](=O)[O-])cc21- InChIKey
LRNDYDMTZXGPHY-UHFFFAOYSA-N- Molecular formula
- C18H11FN4O2
- Average molar mass
- 334.3 g/mol
Names & identifiers
- Preferred name
- 4-[1-(Cyano-methyl-methyl)-6-nitro-1H-indol-3-yl]-2-fluoro-benzonitrile
- IUPAC
- 4-[1-(1-cyanoethyl)-6-nitroindol-3-yl]-2-fluorobenzonitrile
Names & synonyms
SCHEMBL1629642LRNDYDMTZXGPHY-UHFFFAOYSA-N4-[1-(Cyano-methyl-methyl)-6-nitro-1H-indol-3-yl]-2-fluoro-benzonitrile
Database identifiers
- PubChem CID
- 67100646
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 618
Related reactions
2 records
Compound notes
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