N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxamide
Formula:C16H9N5O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxamide |
| MolecularFormula | C16H9N5O4Cl2 |
| Smiles | [O-][N+](c(cc1)ccc1-c1noc(C(N/N=C\c(c(Cl)ccc2)c2Cl)=O)n1)=O |
| InChI | InChI=1S/C16H9Cl2N5O4/c17-12-2-1-3-13(18)11(12)8-19-21-15(24)16-20-14(22-27-16)9-4-6-10(7-5-9)23(25)26/h1-8H,(H,21,24) |
| InChIK | RNHPTCJEOLMDFZ-UHFFFAOYSA-N |
| TotalMolweight | 406.184 |
| Molweight | 406.184 |
| MonoisotopicMass | 405.003159 |
| CLogP | 3.3111 |
| CLogS | -6.556 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 288.47 |
| Relative PSA | 0.35525 |
| PolarSurfaceArea | 126.2 |
| Druglikeness | 0.95833 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxamide | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off