1-oxido-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide
Formula:C19H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-oxido-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide is a drug-like molecule.
| MolName | 1-oxido-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide |
| MolecularFormula | C19H15N3O3 |
| Smiles | [O-][n+](cc1)ccc1C(N/N=C\c1cc(Oc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C19H15N3O3/c23-19(16-9-11-22(24)12-10-16)21-20-14-15-5-4-8-18(13-15)25-17-6-2-1-3-7-17/h1-14H,(H,21,23) |
| InChIK | TZJSTVUZWGMVQM-UHFFFAOYSA-N |
| TotalMolweight | 333.346 |
| Molweight | 333.346 |
| MonoisotopicMass | 333.111342 |
| CLogP | 3.1208 |
| CLogS | -7.607 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 258.8 |
| Relative PSA | 0.23288 |
| PolarSurfaceArea | 76.15 |
| Druglikeness | 2.9174 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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