[2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenyl] cyanate
Formula:C14H6N3OF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenyl] cyanate is a drug-like molecule.
| MolName | [2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenyl] cyanate |
| MolecularFormula | C14H6N3OF5 |
| Smiles | N#COc1c(/C=N\Nc(c(F)c(c(F)c2F)F)c2F)cccc1 |
| InChI | InChI=1S/C14H6F5N3O/c15-9-10(16)12(18)14(13(19)11(9)17)22-21-5-7-3-1-2-4-8(7)23-6-20/h1-5,22H |
| InChIK | LFXAKHFBAFAGBB-UHFFFAOYSA-N |
| TotalMolweight | 327.212 |
| Molweight | 327.212 |
| MonoisotopicMass | 327.043102 |
| CLogP | 4.9383 |
| CLogS | -5.071 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 232.7 |
| Relative PSA | 0.19996 |
| PolarSurfaceArea | 57.41 |
| Druglikeness | -1.6466 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenyl] cyanate | 2 - [2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenyl] cyanate
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