(E)-N-prop-2-ynoxy-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine
Formula:C9H9N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-prop-2-ynoxy-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine is a drug-like molecule.
| MolName | (E)-N-prop-2-ynoxy-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine |
| MolecularFormula | C9H9N3O2 |
| Smiles | C#CCO/N=C1/c2nonc2CCC1 |
| InChI | InChI=1S/C9H9N3O2/c1-2-6-13-10-7-4-3-5-8-9(7)12-14-11-8/h1H,3-6H2 |
| InChIK | UGGALYUAUHTWES-UHFFFAOYSA-N |
| TotalMolweight | 191.189 |
| Molweight | 191.189 |
| MonoisotopicMass | 191.069477 |
| CLogP | 1.7368 |
| CLogS | -2.183 |
| H Acceptors | 5 |
| TotalSurfaceArea | 158.79 |
| Relative PSA | 0.36249 |
| PolarSurfaceArea | 60.51 |
| Druglikeness | -1.5446 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (E)-N-prop-2-ynoxy-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine | 2 - (E)-N-prop-2-ynoxy-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine
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