4-chloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
Formula:C14H6N2OClF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H6N2OClF5 |
| Smiles | O=C(c(cc1)ccc1Cl)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C14H6ClF5N2O/c15-7-3-1-6(2-4-7)14(23)22-21-5-8-9(16)11(18)13(20)12(19)10(8)17/h1-5H,(H,22,23) |
| InChIK | RSNCLYZFBDCNQJ-UHFFFAOYSA-N |
| TotalMolweight | 348.658 |
| Molweight | 348.658 |
| MonoisotopicMass | 348.00888 |
| CLogP | 4.3116 |
| CLogS | -6.027 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 234.16 |
| Relative PSA | 0.15378 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.1315 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 6 |
| StereoCon |
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