N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
Formula:C14H12N3OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide |
| MolecularFormula | C14H12N3OClF |
| Smiles | O=C(C[n+]1ccccc1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C14H11ClFN3O/c15-12-5-4-6-13(16)11(12)9-17-18-14(20)10-19-7-2-1-3-8-19/h1-9H,10H2/p+1 |
| InChIK | MHGBLOVQALZUHE-UHFFFAOYSA-O |
| TotalMolweight | 292.72 |
| Molweight | 292.72 |
| MonoisotopicMass | 292.065292 |
| CLogP | -1.5215 |
| CLogS | -3.106 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 219.82 |
| Relative PSA | 0.17637 |
| PolarSurfaceArea | 45.34 |
| Druglikeness | 2.7488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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