(Z)-1-[3-(pyridin-2-yloxymethyl)phenyl]-N-[(Z)-[3-(pyridin-2-yloxymethyl)phenyl]methylideneamino]methanimine
Formula:C26H22N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[3-(pyridin-2-yloxymethyl)phenyl]-N-[(Z)-[3-(pyridin-2-yloxymethyl)phenyl]methylideneamino]methanimine is not a drug-like molecule.
| MolName | (Z)-1-[3-(pyridin-2-yloxymethyl)phenyl]-N-[(Z)-[3-(pyridin-2-yloxymethyl)phenyl]methylideneamino]methanimine |
| MolecularFormula | C26H22N4O2 |
| Smiles | C(c1cccc(/C=N\N=C/c2cccc(COc3ncccc3)c2)c1)Oc1ncccc1 |
| InChI | InChI=1S/C26H22N4O2/c1-3-13-27-25(11-1)31-19-23-9-5-7-21(15-23)17-29-30-18-22-8-6-10-24(16-22)20-32-26-12-2-4-14-28-26/h1-18H,19-20H2 |
| InChIK | VAPKXMDOJQTSPL-UHFFFAOYSA-N |
| TotalMolweight | 422.487 |
| Molweight | 422.487 |
| MonoisotopicMass | 422.174276 |
| CLogP | 6.1828 |
| CLogS | -6.274 |
| H Acceptors | 6 |
| TotalSurfaceArea | 347.1 |
| Relative PSA | 0.18715 |
| PolarSurfaceArea | 68.96 |
| Druglikeness | 0.9501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 16 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (Z)-1-[3-(pyridin-2-yloxymethyl)phenyl]-N-[(Z)-[3-(pyridin-2-yloxymethyl)phenyl]methylideneamino]methanimine | 2 - (Z)-1-[3-(pyridin-2-yloxymethyl)phenyl]-N-[(Z)-[3-(pyridin-2-yloxymethyl)phenyl]methylideneamino]methanimine
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