Basic information
- Standard SMILES
O=C1c2cc([N+](=O)[O-])ccc2C(=O)c2c(NCCc3ccccc3)cccc21- InChIKey
IHVJUCFZCKXPRZ-UHFFFAOYSA-N- Molecular formula
- C22H16N2O4
- Average molar mass
- 372.4 g/mol
Names & identifiers
- Preferred name
- 1-beta-Phenylethylamino-6-nitroanthraquinone
- IUPAC
- 6-nitro-1-(2-phenylethylamino)anthracene-9,10-dione
Names & synonyms
SCHEMBL11871044IHVJUCFZCKXPRZ-UHFFFAOYSA-N1-beta-phenylethylamino-6-nitroanthraquinone
Database identifiers
- PubChem CID
- 53917138
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 610
Related reactions
1 records
Compound notes
Loading…