4-[5-[(Z)-(3-fluorophenyl)methoxyiminomethyl]pyridin-2-yl]oxybenzonitrile
Formula:C20H14N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[5-[(Z)-(3-fluorophenyl)methoxyiminomethyl]pyridin-2-yl]oxybenzonitrile is a drug-like molecule.
| MolName | 4-[5-[(Z)-(3-fluorophenyl)methoxyiminomethyl]pyridin-2-yl]oxybenzonitrile |
| MolecularFormula | C20H14N3O2F |
| Smiles | N#Cc(cc1)ccc1Oc1ncc(/C=N\OCc2cccc(F)c2)cc1 |
| InChI | InChI=1S/C20H14FN3O2/c21-18-3-1-2-16(10-18)14-25-24-13-17-6-9-20(23-12-17)26-19-7-4-15(11-22)5-8-19/h1-10,12-13H,14H2 |
| InChIK | QBGBWZZPZUIHIT-UHFFFAOYSA-N |
| TotalMolweight | 347.348 |
| Molweight | 347.348 |
| MonoisotopicMass | 347.107005 |
| CLogP | 4.5182 |
| CLogS | -6.756 |
| H Acceptors | 5 |
| TotalSurfaceArea | 278.12 |
| Relative PSA | 0.2015 |
| PolarSurfaceArea | 67.5 |
| Druglikeness | -5.6018 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-[5-[(Z)-(3-fluorophenyl)methoxyiminomethyl]pyridin-2-yl]oxybenzonitrile | 2 - 4-[5-[(Z)-(3-fluorophenyl)methoxyiminomethyl]pyridin-2-yl]oxybenzonitrile
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