N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C15H7N2O3F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C15H7N2O3F5 |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C15H7F5N2O3/c16-10-7(11(17)13(19)14(20)12(10)18)4-21-22-15(23)6-1-2-8-9(3-6)25-5-24-8/h1-4H,5H2,(H,22,23) |
| InChIK | PQSNYISQSSCZDP-UHFFFAOYSA-N |
| TotalMolweight | 358.222 |
| Molweight | 358.222 |
| MonoisotopicMass | 358.037683 |
| CLogP | 3.817 |
| CLogS | -6.002 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 239 |
| Relative PSA | 0.23435 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.8978 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide | 2 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
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