N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2H-tetrazol-5-amine
Formula:C9H8N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2H-tetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C9H8N6O2 |
| Smiles | C1Oc(cc(/C=N\Nc2n[nH]nn2)cc2)c2O1 |
| InChI | InChI=1S/C9H8N6O2/c1-2-7-8(17-5-16-7)3-6(1)4-10-11-9-12-14-15-13-9/h1-4H,5H2,(H2,11,12,13,14,15) |
| InChIK | OOCUUFTWZQLWKW-UHFFFAOYSA-N |
| TotalMolweight | 232.203 |
| Molweight | 232.203 |
| MonoisotopicMass | 232.070874 |
| CLogP | 2.9452 |
| CLogS | -3.268 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 175.35 |
| Relative PSA | 0.51252 |
| PolarSurfaceArea | 97.31 |
| Druglikeness | -1.8571 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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