2-[2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenoxy]acetonitrile
Formula:C10H9N7O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenoxy]acetonitrile is a drug-like molecule.
| MolName | 2-[2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenoxy]acetonitrile |
| MolecularFormula | C10H9N7O |
| Smiles | N#CCOc1c(/C=N\Nc2n[nH]nn2)cccc1 |
| InChI | InChI=1S/C10H9N7O/c11-5-6-18-9-4-2-1-3-8(9)7-12-13-10-14-16-17-15-10/h1-4,7H,6H2,(H2,13,14,15,16,17) |
| InChIK | FKFWIRLPAAKMFZ-UHFFFAOYSA-N |
| TotalMolweight | 243.229 |
| Molweight | 243.229 |
| MonoisotopicMass | 243.086858 |
| CLogP | 2.4157 |
| CLogS | -3.023 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 200.56 |
| Relative PSA | 0.46585 |
| PolarSurfaceArea | 111.87 |
| Druglikeness | -6.3961 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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