N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
Formula:C20H18N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide |
| MolecularFormula | C20H18N3O2 |
| Smiles | O=C(C[n+]1ccccc1)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C20H17N3O2/c24-20(16-23-12-5-2-6-13-23)22-21-15-17-8-7-11-19(14-17)25-18-9-3-1-4-10-18/h1-15H,16H2/p+1 |
| InChIK | XDORIGUDHIJEMS-UHFFFAOYSA-O |
| TotalMolweight | 332.382 |
| Molweight | 332.382 |
| MonoisotopicMass | 332.139902 |
| CLogP | -0.8327 |
| CLogS | -4.353 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 267.81 |
| Relative PSA | 0.18211 |
| PolarSurfaceArea | 54.57 |
| Druglikeness | 3.9605 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide | 2 - N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off