N-(1,3-benzothiazol-2-yl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
Formula:C16H11N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(1,3-benzothiazol-2-yl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(1,3-benzothiazol-2-yl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide |
| MolecularFormula | C16H11N5O4S |
| Smiles | [O-][N+](c1cccc(/C=N\NC(C(Nc2nc(cccc3)c3s2)=O)=O)c1)=O |
| InChI | InChI=1S/C16H11N5O4S/c22-14(19-16-18-12-6-1-2-7-13(12)26-16)15(23)20-17-9-10-4-3-5-11(8-10)21(24)25/h1-9H,(H,20,23)(H,18,19,22) |
| InChIK | BLSMVVDWIYEQMI-UHFFFAOYSA-N |
| TotalMolweight | 369.36 |
| Molweight | 369.36 |
| MonoisotopicMass | 369.053175 |
| CLogP | 2.0247 |
| CLogS | -4.952 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 269.17 |
| Relative PSA | 0.45421 |
| PolarSurfaceArea | 157.51 |
| Druglikeness | -1.1297 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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