2-(4-nitrophenyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]acetamide
Formula:C15H8N3O3F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-nitrophenyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-nitrophenyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H8N3O3F5 |
| Smiles | [O-][N+](c1ccc(CC(N/N=C\c(c(F)c(c(F)c2F)F)c2F)=O)cc1)=O |
| InChI | InChI=1S/C15H8F5N3O3/c16-11-9(12(17)14(19)15(20)13(11)18)6-21-22-10(24)5-7-1-3-8(4-2-7)23(25)26/h1-4,6H,5H2,(H,22,24) |
| InChIK | JNZNCTSXEXASRX-UHFFFAOYSA-N |
| TotalMolweight | 373.237 |
| Molweight | 373.237 |
| MonoisotopicMass | 373.048582 |
| CLogP | 2.7821 |
| CLogS | -5.716 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 256.17 |
| Relative PSA | 0.25932 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -2.1341 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(4-nitrophenyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]acetamide | 2 - 2-(4-nitrophenyl)-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off