2-[4-[(Z)-[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile
Formula:C23H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[4-[(Z)-[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile is a drug-like molecule.
| MolName | 2-[4-[(Z)-[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile |
| MolecularFormula | C23H21N3O2 |
| Smiles | COc(cc(/C=N\N(Cc1ccccc1)c1ccccc1)cc1)c1OCC#N |
| InChI | InChI=1S/C23H21N3O2/c1-27-23-16-20(12-13-22(23)28-15-14-24)17-25-26(21-10-6-3-7-11-21)18-19-8-4-2-5-9-19/h2-13,16-17H,15,18H2,1H3 |
| InChIK | BFAQCYMMVZEGSG-UHFFFAOYSA-N |
| TotalMolweight | 371.439 |
| Molweight | 371.439 |
| MonoisotopicMass | 371.163377 |
| CLogP | 4.4837 |
| CLogS | -4.786 |
| H Acceptors | 5 |
| TotalSurfaceArea | 309.33 |
| Relative PSA | 0.15718 |
| PolarSurfaceArea | 57.85 |
| Druglikeness | -1.0049 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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