2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C18H14N8O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(4-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)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C18H14N8O4 |
| Smiles | Nc1nonc1-c1nc(cccc2)c2n1CC(N/N=C\c(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C18H14N8O4/c19-17-16(23-30-24-17)18-21-13-3-1-2-4-14(13)25(18)10-15(27)22-20-9-11-5-7-12(8-6-11)26(28)29/h1-9H,10H2,(H2,19,24)(H,22,27) |
| InChIK | SAGGJUKNVMXEOC-UHFFFAOYSA-N |
| TotalMolweight | 406.361 |
| Molweight | 406.361 |
| MonoisotopicMass | 406.113802 |
| CLogP | 1.256 |
| CLogS | -4.203 |
| H Acceptors | 12 |
| H Donors | 2 |
| TotalSurfaceArea | 302.47 |
| Relative PSA | 0.44828 |
| PolarSurfaceArea | 170.04 |
| Druglikeness | 1.6412 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 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)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
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