2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
Formula:C18H13N8O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C18H13N8O4Cl |
| Smiles | Nc1nonc1-c1nc(cccc2)c2n1CC(N/N=C\c(cc(cc1)[N+]([O-])=O)c1Cl)=O |
| InChI | InChI=1S/C18H13ClN8O4/c19-12-6-5-11(27(29)30)7-10(12)8-21-23-15(28)9-26-14-4-2-1-3-13(14)22-18(26)16-17(20)25-31-24-16/h1-8H,9H2,(H2,20,25)(H,23,28) |
| InChIK | GKYZSJJZMXOADE-UHFFFAOYSA-N |
| TotalMolweight | 440.806 |
| Molweight | 440.806 |
| MonoisotopicMass | 440.074829 |
| CLogP | 1.862 |
| CLogS | -4.939 |
| H Acceptors | 12 |
| H Donors | 2 |
| TotalSurfaceArea | 317.89 |
| Relative PSA | 0.42653 |
| PolarSurfaceArea | 170.04 |
| Druglikeness | 1.6715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide | 2 - 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
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