3-hydroxy-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalene-2-carboxamide
Formula:C18H9N2O2F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C18H9N2O2F5 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(c(F)c(c(F)c1F)F)c1F)=O |
| InChI | InChI=1S/C18H9F5N2O2/c19-13-11(14(20)16(22)17(23)15(13)21)7-24-25-18(27)10-5-8-3-1-2-4-9(8)6-12(10)26/h1-7,26H,(H,25,27) |
| InChIK | NTOHZCNCLJMDCP-UHFFFAOYSA-N |
| TotalMolweight | 380.271 |
| Molweight | 380.271 |
| MonoisotopicMass | 380.058418 |
| CLogP | 4.5543 |
| CLogS | -6.601 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 259.69 |
| Relative PSA | 0.18911 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 3.0804 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 3-hydroxy-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalene-2-carboxamide | 2 - 3-hydroxy-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalene-2-carboxamide
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