N-(3-methylphenyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Chemical Structure Depiction of
N-(3-methylphenyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
N-(3-methylphenyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Compound characteristics
| Compound ID: | 0828-0086 |
| Compound Name: | N-(3-methylphenyl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide |
| Molecular Weight: | 386.36 |
| Molecular Formula: | C22 H14 N2 O5 |
| Smiles: | Cc1cccc(c1)NC(c1ccc2C(c3ccccc3C(c2c1[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.071 |
| logD: | 5.0028 |
| logSw: | -4.8988 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.051 |
| InChI Key: | VRJQWEDTMKZNTD-UHFFFAOYSA-N |