Basic information
- Standard SMILES
CC(=O)N1CCCC(Cn2ncc3c([N+](=O)[O-])cccc32)C1- InChIKey
UQQXJEFBXVUREA-UHFFFAOYSA-N- Molecular formula
- C15H18N4O3
- Average molar mass
- 302.33 g/mol
Names & identifiers
- Preferred name
- 1-(3-((4-nitro-1H-indazol-1-yl)methyl)piperidin-1-yl)ethanone
- IUPAC
- 1-[3-[(4-nitroindazol-1-yl)methyl]piperidin-1-yl]ethanone
Names & synonyms
SCHEMBL9938796UQQXJEFBXVUREA-UHFFFAOYSA-N1-(3-((4-nitro-1H-indazol-1-yl)methyl)piperidin-1-yl)ethanone
Database identifiers
- PubChem CID
- 67974591
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 439
Related reactions
2 records
Compound notes
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