1-(difluoromethoxy)-2-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene
Formula:C20H17N2OF2PS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-(difluoromethoxy)-2-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene is not a drug-like molecule.
| MolName | 1-(difluoromethoxy)-2-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene |
| MolecularFormula | C20H17N2OF2PS |
| Smiles | FC(Oc1c(/C=N\NP(c2ccccc2)(c2ccccc2)=S)cccc1)F |
| InChI | InChI=1S/C20H17F2N2OPS/c21-20(22)25-19-14-8-7-9-16(19)15-23-24-26(27,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15,20H,(H,24,27) |
| InChIK | UQAIXFDFKLLCFW-UHFFFAOYSA-N |
| TotalMolweight | 402.404 |
| Molweight | 402.404 |
| MonoisotopicMass | 402.076726 |
| CLogP | 5.474 |
| CLogS | -5.99 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 302.93 |
| Relative PSA | 0.21441 |
| PolarSurfaceArea | 75.52 |
| Druglikeness | -14.933 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 9 |
| StereoCon |
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1 - 1-(difluoromethoxy)-2-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene | 2 - 1-(difluoromethoxy)-2-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene
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