N-[(Z)-(3-iodophenyl)methylideneamino]-2H-tetrazol-5-amine
Formula:C8H7N6I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-iodophenyl)methylideneamino]-2H-tetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-(3-iodophenyl)methylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C8H7N6I |
| Smiles | Ic1cc(/C=N\Nc2n[nH]nn2)ccc1 |
| InChI | InChI=1S/C8H7IN6/c9-7-3-1-2-6(4-7)5-10-11-8-12-14-15-13-8/h1-5H,(H2,11,12,13,14,15) |
| InChIK | BCRNLDZFNNOAFQ-UHFFFAOYSA-N |
| TotalMolweight | 314.086 |
| Molweight | 314.086 |
| MonoisotopicMass | 313.977692 |
| CLogP | 3.2709 |
| CLogS | -3.573 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 181.37 |
| Relative PSA | 0.38523 |
| PolarSurfaceArea | 78.85 |
| Druglikeness | -0.92787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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