Mol Weight - 157.172
Smiles - C1=CC(NO2)=C3C2=CC=CC=C13
| Property Name | Property Value |
| Mol Name | 2H-azuleno[1,8-cd]isoxazole |
| Molweight | 157.172 |
| Monoisotopic Mass | 157.052764 |
| Clogp | 1.0297 |
| Clogs | -2.378 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 119.8 |
| Relative Psa | 0.17913 |
| Polar Surface Area | 21.26 |
| Druglikeness | 0.92485 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.039433 |
| Molecular Complexity | 0.78115 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Sp3 Atoms | 2 |
| Smiles | C1=CC(NO2)=C3C2=CC=CC=C13 |
| InChIKey | InChI=1S/C10H7NO/c1-2-4-9-10-7(3-1)5-6-8(10)11-12-9/h1-6,11H |
| InChI | PNUABPMSLFPSRJ-UHFFFAOYSA-N |
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1 — 2H-azuleno[1,8-cd]isoxazole | 2 — 2H-azuleno[1,8-cd]isoxazole