2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C16H13N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H13N5O3S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CSc2nc(cccc3)c3[nH]2)=O)cc1)=O |
| InChI | InChI=1S/C16H13N5O3S/c22-15(10-25-16-18-13-3-1-2-4-14(13)19-16)20-17-9-11-5-7-12(8-6-11)21(23)24/h1-9H,10H2,(H,18,19)(H,20,22) |
| InChIK | WZZRFWGMOISPJH-UHFFFAOYSA-N |
| TotalMolweight | 355.377 |
| Molweight | 355.377 |
| MonoisotopicMass | 355.07391 |
| CLogP | 2.1641 |
| CLogS | -4.703 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 264.84 |
| Relative PSA | 0.41112 |
| PolarSurfaceArea | 141.26 |
| Druglikeness | -0.16495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
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