9-[(acetyloxy)imino]-1-methyl-2-oxo-1,9-dihydro-4H-2lambda~5~-naphtho[2,3-d][1,2,3]triazol-4-one
Chemical Structure Depiction of
9-[(acetyloxy)imino]-1-methyl-2-oxo-1,9-dihydro-4H-2lambda~5~-naphtho[2,3-d][1,2,3]triazol-4-one
9-[(acetyloxy)imino]-1-methyl-2-oxo-1,9-dihydro-4H-2lambda~5~-naphtho[2,3-d][1,2,3]triazol-4-one
Compound characteristics
| Compound ID: | 8020-7781 |
| Compound Name: | 9-[(acetyloxy)imino]-1-methyl-2-oxo-1,9-dihydro-4H-2lambda~5~-naphtho[2,3-d][1,2,3]triazol-4-one |
| Molecular Weight: | 286.24 |
| Molecular Formula: | C13 H10 N4 O4 |
| Smiles: | CC(=O)O/N=C1/c2ccccc2C(c2c1n(C)[n+](n2)[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.0482 |
| logD: | 0.0482 |
| logSw: | -2.1772 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.154 |
| InChI Key: | MPNJENVMVOAMAM-UHFFFAOYSA-N |