6-[5-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]furan-2-yl]-3H-2-benzofuran-1-one
Formula:C14H10N6O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
6-[5-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]furan-2-yl]-3H-2-benzofuran-1-one is a drug-like molecule.
| MolName | 6-[5-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]furan-2-yl]-3H-2-benzofuran-1-one |
| MolecularFormula | C14H10N6O3 |
| Smiles | O=C1OCc(cc2)c1cc2-c1ccc(/C=N\Nc2n[nH]nn2)o1 |
| InChI | InChI=1S/C14H10N6O3/c21-13-11-5-8(1-2-9(11)7-22-13)12-4-3-10(23-12)6-15-16-14-17-19-20-18-14/h1-6H,7H2,(H2,16,17,18,19,20) |
| InChIK | IBMNTXNCYMDQMD-UHFFFAOYSA-N |
| TotalMolweight | 310.272 |
| Molweight | 310.272 |
| MonoisotopicMass | 310.081439 |
| CLogP | 2.8269 |
| CLogS | -4.395 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 232.55 |
| Relative PSA | 0.4602 |
| PolarSurfaceArea | 118.29 |
| Druglikeness | 0.06511 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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