Basic information
- Standard SMILES
O=C(O)C=CC(=O)Nc1n[nH]c2ccc(Br)cc12- InChIKey
LBENIQGNBGYVCM-UHFFFAOYSA-N- Molecular formula
- C11H8BrN3O3
- Average molar mass
- 310.1 g/mol
Names & identifiers
- Preferred name
- 4-[(5-bromo-1H-indazol-3-yl)amino]-4-oxo-2-butenoic acid
- IUPAC
- 4-[(5-bromo-1H-indazol-3-yl)amino]-4-oxobut-2-enoic acid
Names & synonyms
SCHEMBL6487193LBENIQGNBGYVCM-UHFFFAOYSA-N4-[(5-bromo-1H-indazol-3-yl)amino]-4-oxo-2-butenoic acid
Database identifiers
- PubChem CID
- 69797458
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 375
Related reactions
2 records
Compound notes
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