N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
Formula:C19H12N3O2F7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide |
| MolecularFormula | C19H12N3O2F7 |
| Smiles | N#Cc1c(COc2ccc(/C=N\NC(C(C(C(F)(F)F)(F)F)(F)F)=O)cc2)cccc1 |
| InChI | InChI=1S/C19H12F7N3O2/c20-17(21,18(22,23)19(24,25)26)16(30)29-28-10-12-5-7-15(8-6-12)31-11-14-4-2-1-3-13(14)9-27/h1-8,10H,11H2,(H,29,30) |
| InChIK | MPRLXTNRIVMXES-UHFFFAOYSA-N |
| TotalMolweight | 447.309 |
| Molweight | 447.309 |
| MonoisotopicMass | 447.081773 |
| CLogP | 4.8438 |
| CLogS | -6.841 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 308.14 |
| Relative PSA | 0.19332 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -86.611 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide | 2 - N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
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