Basic information
- Standard SMILES
O=[N+]([O-])c1cccc(/C=C/c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)c1- InChIKey
ISWUVPOUIMHFBC-SNAWJCMRSA-N- Molecular formula
- C21H14FN3O2
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.10700486
Names & identifiers
- Preferred name
- 5-[(1E)-2-(3-Nitrophenyl)vinyl]-3-(4-fluorophenyl)-1H-indazole
- IUPAC
- 3-(4-fluorophenyl)-5-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indazole
Names & synonyms
SCHEMBL5381689CHEMBL3921740ISWUVPOUIMHFBC-SNAWJCMRSA-N5-[(1e)-2-(3nitrophenyl)vinyl]-3-(4-fluorophenyl)-1h-indazole5-[(1E)-2-(3-Nitrophenyl)Vinyl]-3-(4-Fluorophenyl) -1H-Indazole5-[(1E)-2-(3-NITROPHENYL)VINYL]-3-(4-FLUOROPHENYL)-1H-INDAZOLE
Database identifiers
- PubChem CID
- 22480184
- ChEMBL
CHEMBL3921740
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 544
Related reactions
4 records
Compound notes
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