Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)CCCC1=Cc1ccc(O)c([N+](=O)[O-])c1- InChIKey
FOIOQZCMZJVONY-UHFFFAOYSA-N- Molecular formula
- C20H16N2O7
- Average molar mass
- 396.3 g/mol
- Monoisotopic mass
- 396.09575085
Names & identifiers
- Preferred name
- 2,6-Bis[(4-hydroxy-3-nitrophenyl)methylidene]cyclohexan-1-one
- IUPAC
- 2,6-bis[(4-hydroxy-3-nitrophenyl)methylidene]cyclohexan-1-one
Names & synonyms
NCI60_037655
Database identifiers
- PubChem CID
- 397494
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 663
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…