1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
Formula:C18H11N9O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide is not a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide |
| MolecularFormula | C18H11N9O4Cl2 |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c(c(Cl)ccc2)c2Cl)=O)c1-c(cc1)ccc1[N+]([O-])=O |
| InChI | InChI=1S/C18H11Cl2N9O4/c19-12-2-1-3-13(20)11(12)8-22-24-18(30)14-15(9-4-6-10(7-5-9)29(31)32)28(27-23-14)17-16(21)25-33-26-17/h1-8H,(H2,21,25)(H,24,30) |
| InChIK | FGJIEAOXMORLLO-UHFFFAOYSA-N |
| TotalMolweight | 488.25 |
| Molweight | 488.25 |
| MonoisotopicMass | 487.031105 |
| CLogP | 3.736 |
| CLogS | -5.138 |
| H Acceptors | 13 |
| H Donors | 2 |
| TotalSurfaceArea | 343.47 |
| Relative PSA | 0.4267 |
| PolarSurfaceArea | 182.93 |
| Druglikeness | -3.0594 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 5 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
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