N-(1,3-benzothiazol-2-yl)-2-[(Z)-(2-chlorophenyl)methylideneamino]oxyacetamide
Formula:C16H12N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(1,3-benzothiazol-2-yl)-2-[(Z)-(2-chlorophenyl)methylideneamino]oxyacetamide is a drug-like molecule.
| MolName | N-(1,3-benzothiazol-2-yl)-2-[(Z)-(2-chlorophenyl)methylideneamino]oxyacetamide |
| MolecularFormula | C16H12N3O2ClS |
| Smiles | O=C(CO/N=C\c(cccc1)c1Cl)Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C16H12ClN3O2S/c17-12-6-2-1-5-11(12)9-18-22-10-15(21)20-16-19-13-7-3-4-8-14(13)23-16/h1-9H,10H2,(H,19,20,21) |
| InChIK | IOPCITXARRUFPK-UHFFFAOYSA-N |
| TotalMolweight | 345.809 |
| Molweight | 345.809 |
| MonoisotopicMass | 345.033874 |
| CLogP | 4.6184 |
| CLogS | -5.296 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 255.47 |
| Relative PSA | 0.30274 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | 2.6073 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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