N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C15H11N3O3F4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C15H11N3O3F4 |
| Smiles | O=C(c1ccncc1)N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F |
| InChI | InChI=1S/C15H11F4N3O3/c16-14(17)24-11-2-1-10(12(7-11)25-15(18)19)8-21-22-13(23)9-3-5-20-6-4-9/h1-8,14-15H,(H,22,23) |
| InChIK | KHILOKSBCYYWCB-UHFFFAOYSA-N |
| TotalMolweight | 357.262 |
| Molweight | 357.262 |
| MonoisotopicMass | 357.073654 |
| CLogP | 2.5395 |
| CLogS | -4.17 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 256.15 |
| Relative PSA | 0.26149 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 1.5305 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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