4-[5-[(Z)-hydroxyiminomethyl]pyridin-2-yl]oxybenzonitrile
Formula:C13H9N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[5-[(Z)-hydroxyiminomethyl]pyridin-2-yl]oxybenzonitrile is a drug-like molecule.
| MolName | 4-[5-[(Z)-hydroxyiminomethyl]pyridin-2-yl]oxybenzonitrile |
| MolecularFormula | C13H9N3O2 |
| Smiles | N#Cc(cc1)ccc1Oc1ncc(/C=N\O)cc1 |
| InChI | InChI=1S/C13H9N3O2/c14-7-10-1-4-12(5-2-10)18-13-6-3-11(8-15-13)9-16-17/h1-6,8-9,17H |
| InChIK | ZQLAGKWPMNNNJV-UHFFFAOYSA-N |
| TotalMolweight | 239.233 |
| Molweight | 239.233 |
| MonoisotopicMass | 239.069477 |
| CLogP | 2.796 |
| CLogS | -5.115 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 194.6 |
| Relative PSA | 0.30391 |
| PolarSurfaceArea | 78.5 |
| Druglikeness | -5.2742 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.77778 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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