N-[(Z)-(4-fluorophenyl)methylideneamino]-1-oxidopyridin-1-ium-3-carboxamide
Formula:C13H10N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-fluorophenyl)methylideneamino]-1-oxidopyridin-1-ium-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-fluorophenyl)methylideneamino]-1-oxidopyridin-1-ium-3-carboxamide |
| MolecularFormula | C13H10N3O2F |
| Smiles | [O-][n+]1cccc(C(N/N=C\c(cc2)ccc2F)=O)c1 |
| InChI | InChI=1S/C13H10FN3O2/c14-12-5-3-10(4-6-12)8-15-16-13(18)11-2-1-7-17(19)9-11/h1-9H,(H,16,18) |
| InChIK | NNAGBQLZTRSOGV-UHFFFAOYSA-N |
| TotalMolweight | 259.239 |
| Molweight | 259.239 |
| MonoisotopicMass | 259.075705 |
| CLogP | 1.826 |
| CLogS | -5.624 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 195.39 |
| Relative PSA | 0.25728 |
| PolarSurfaceArea | 66.92 |
| Druglikeness | 1.7034 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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