N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
Formula:C21H20N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide |
| MolecularFormula | C21H20N3O2 |
| Smiles | O=C(C[n+]1ccccc1)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C21H19N3O2/c25-21(16-24-13-5-2-6-14-24)23-22-15-18-9-11-20(12-10-18)26-17-19-7-3-1-4-8-19/h1-15H,16-17H2/p+1 |
| InChIK | IHLGKLOMBWLUIW-UHFFFAOYSA-O |
| TotalMolweight | 346.409 |
| Molweight | 346.409 |
| MonoisotopicMass | 346.155552 |
| CLogP | -0.8802 |
| CLogS | -3.397 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 281.57 |
| Relative PSA | 0.17321 |
| PolarSurfaceArea | 54.57 |
| Druglikeness | 3.7043 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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