[2-[(Z)-[[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]carbamoylhydrazinylidene]methyl]phenyl] cyanate
Formula:C18H14N6O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2-[(Z)-[[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]carbamoylhydrazinylidene]methyl]phenyl] cyanate is a drug-like molecule.
| MolName | [2-[(Z)-[[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]carbamoylhydrazinylidene]methyl]phenyl] cyanate |
| MolecularFormula | C18H14N6O3 |
| Smiles | N#CCOc1c(/C=N\NC(N/N=C\c(cccc2)c2OC#N)=O)cccc1 |
| InChI | InChI=1S/C18H14N6O3/c19-9-10-26-16-7-3-1-5-14(16)11-21-23-18(25)24-22-12-15-6-2-4-8-17(15)27-13-20/h1-8,11-12H,10H2,(H2,23,24,25) |
| InChIK | DHEKWYXPMQPVJW-UHFFFAOYSA-N |
| TotalMolweight | 362.348 |
| Molweight | 362.348 |
| MonoisotopicMass | 362.112739 |
| CLogP | 2.7653 |
| CLogS | -5.648 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 300.39 |
| Relative PSA | 0.35321 |
| PolarSurfaceArea | 131.89 |
| Druglikeness | -1.2582 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - [2-[(Z)-[[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]carbamoylhydrazinylidene]methyl]phenyl] cyanate | 2 - [2-[(Z)-[[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]carbamoylhydrazinylidene]methyl]phenyl] cyanate
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