5-[5-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione
Formula:C14H9N7O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[5-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione is a drug-like molecule.
| MolName | 5-[5-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione |
| MolecularFormula | C14H9N7O3 |
| Smiles | O=C(c(cc1)c2cc1-c1ccc(/C=N\Nc3n[nH]nn3)o1)NC2=O |
| InChI | InChI=1S/C14H9N7O3/c22-12-9-3-1-7(5-10(9)13(23)16-12)11-4-2-8(24-11)6-15-17-14-18-20-21-19-14/h1-6H,(H,16,22,23)(H2,17,18,19,20,21) |
| InChIK | PORRJFYRHDKTNK-UHFFFAOYSA-N |
| TotalMolweight | 323.271 |
| Molweight | 323.271 |
| MonoisotopicMass | 323.076688 |
| CLogP | 2.8538 |
| CLogS | -4.388 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 238 |
| Relative PSA | 0.51059 |
| PolarSurfaceArea | 138.16 |
| Druglikeness | 1.8647 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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