2-[2-[(Z)-[(Z)-[2-(cyanomethoxy)phenyl]methylidenehydrazinylidene]methyl]phenoxy]acetonitrile
Formula:C18H14N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[2-[(Z)-[(Z)-[2-(cyanomethoxy)phenyl]methylidenehydrazinylidene]methyl]phenoxy]acetonitrile is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(Z)-[2-(cyanomethoxy)phenyl]methylidenehydrazinylidene]methyl]phenoxy]acetonitrile |
| MolecularFormula | C18H14N4O2 |
| Smiles | N#CCOc1c(/C=N\N=C/c(cccc2)c2OCC#N)cccc1 |
| InChI | InChI=1S/C18H14N4O2/c19-9-11-23-17-7-3-1-5-15(17)13-21-22-14-16-6-2-4-8-18(16)24-12-10-20/h1-8,13-14H,11-12H2 |
| InChIK | WOTNNVLJTUUQJG-UHFFFAOYSA-N |
| TotalMolweight | 318.335 |
| Molweight | 318.335 |
| MonoisotopicMass | 318.111676 |
| CLogP | 3.9494 |
| CLogS | -5.064 |
| H Acceptors | 6 |
| TotalSurfaceArea | 273.48 |
| Relative PSA | 0.25647 |
| PolarSurfaceArea | 90.76 |
| Druglikeness | -3.3299 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 12 |
| StereoCon |
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