1-(3-chloropropyl)-2-oxo-1H-2lambda~5~-naphtho[2,3-d][1,2,3]triazole-4,9-dione
Chemical Structure Depiction of
1-(3-chloropropyl)-2-oxo-1H-2lambda~5~-naphtho[2,3-d][1,2,3]triazole-4,9-dione
1-(3-chloropropyl)-2-oxo-1H-2lambda~5~-naphtho[2,3-d][1,2,3]triazole-4,9-dione
Compound characteristics
| Compound ID: | 8020-0753 |
| Compound Name: | 1-(3-chloropropyl)-2-oxo-1H-2lambda~5~-naphtho[2,3-d][1,2,3]triazole-4,9-dione |
| Molecular Weight: | 291.69 |
| Molecular Formula: | C13 H10 Cl N3 O3 |
| Smiles: | C(Cn1c2C(c3ccccc3C(c2n[n+]1[O-])=O)=O)C[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.5888 |
| logD: | 1.5888 |
| logSw: | -2.2497 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.674 |
| InChI Key: | NKVMQZADYFEORW-UHFFFAOYSA-N |