(NE)-N-[(4-fluorophenyl)-pyridin-3-ylmethylidene]hydroxylamine
Formula:C12H9N2OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[(4-fluorophenyl)-pyridin-3-ylmethylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[(4-fluorophenyl)-pyridin-3-ylmethylidene]hydroxylamine |
| MolecularFormula | C12H9N2OF |
| Smiles | O/N=C(\c(cc1)ccc1F)/c1cnccc1 |
| InChI | InChI=1S/C12H9FN2O/c13-11-5-3-9(4-6-11)12(15-16)10-2-1-7-14-8-10/h1-8,16H |
| InChIK | GETZAGUOVIAJTF-UHFFFAOYSA-N |
| TotalMolweight | 216.214 |
| Molweight | 216.214 |
| MonoisotopicMass | 216.069891 |
| CLogP | 2.5109 |
| CLogS | -3.61 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 167.45 |
| Relative PSA | 0.21248 |
| PolarSurfaceArea | 45.48 |
| Druglikeness | -2.8275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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