2-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]oxyacetonitrile
Formula:C14H11N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]oxyacetonitrile is a drug-like molecule.
| MolName | 2-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]oxyacetonitrile |
| MolecularFormula | C14H11N3O |
| Smiles | N#CCO/N=C(/c1ccccc1)\c1ccncc1 |
| InChI | InChI=1S/C14H11N3O/c15-8-11-18-17-14(12-4-2-1-3-5-12)13-6-9-16-10-7-13/h1-7,9-10H,11H2 |
| InChIK | LDVAQBDXXLZTQM-UHFFFAOYSA-N |
| TotalMolweight | 237.261 |
| Molweight | 237.261 |
| MonoisotopicMass | 237.090212 |
| CLogP | 2.2653 |
| CLogS | -3.748 |
| H Acceptors | 4 |
| TotalSurfaceArea | 200.22 |
| Relative PSA | 0.22995 |
| PolarSurfaceArea | 58.27 |
| Druglikeness | -3.4438 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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