N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C14H11N3O2F2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C14H11N3O2F2 |
| Smiles | O=C(c1ccncc1)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C14H11F2N3O2/c15-14(16)21-12-4-2-1-3-11(12)9-18-19-13(20)10-5-7-17-8-6-10/h1-9,14H,(H,19,20) |
| InChIK | FXZGRNLGDAXDSS-UHFFFAOYSA-N |
| TotalMolweight | 291.256 |
| Molweight | 291.256 |
| MonoisotopicMass | 291.081933 |
| CLogP | 2.3701 |
| CLogS | -3.548 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 220.95 |
| Relative PSA | 0.25789 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 1.5305 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
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