(Z)-1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine
Formula:C13H14N2O3F4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine is a drug-like molecule.
| MolName | (Z)-1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine |
| MolecularFormula | C13H14N2O3F4 |
| Smiles | FC(Oc1cc(OC(F)F)c(/C=N\N2CCOCC2)cc1)F |
| InChI | InChI=1S/C13H14F4N2O3/c14-12(15)21-10-2-1-9(11(7-10)22-13(16)17)8-18-19-3-5-20-6-4-19/h1-2,7-8,12-13H,3-6H2 |
| InChIK | HCSVACTXHNNTCI-UHFFFAOYSA-N |
| TotalMolweight | 322.257 |
| Molweight | 322.257 |
| MonoisotopicMass | 322.094055 |
| CLogP | 1.8303 |
| CLogS | -3.075 |
| H Acceptors | 5 |
| TotalSurfaceArea | 230.26 |
| Relative PSA | 0.19569 |
| PolarSurfaceArea | 43.29 |
| Druglikeness | 0.073641 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| StereoCon |
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