(2Z)-2-[(4-chloroanilino)methylidene]-4H-1,4-benzothiazin-3-one
Formula:C15H11N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(4-chloroanilino)methylidene]-4H-1,4-benzothiazin-3-one is a drug-like molecule.
| MolName | (2Z)-2-[(4-chloroanilino)methylidene]-4H-1,4-benzothiazin-3-one |
| MolecularFormula | C15H11N2OClS |
| Smiles | O=C1Nc(cccc2)c2S/C1=C\Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C15H11ClN2OS/c16-10-5-7-11(8-6-10)17-9-14-15(19)18-12-3-1-2-4-13(12)20-14/h1-9,17H,(H,18,19) |
| InChIK | HOZKSJKGMLQVHQ-UHFFFAOYSA-N |
| TotalMolweight | 302.784 |
| Molweight | 302.784 |
| MonoisotopicMass | 302.02806 |
| CLogP | 2.0337 |
| CLogS | -5.096 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 217.81 |
| Relative PSA | 0.2454 |
| PolarSurfaceArea | 66.43 |
| Druglikeness | 2.5511 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (2Z)-2-[(4-chloroanilino)methylidene]-4H-1,4-benzothiazin-3-one | 2 - (2Z)-2-[(4-chloroanilino)methylidene]-4H-1,4-benzothiazin-3-one
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