(2E)-2-[(4-phenylphenyl)methylidene]-4H-1,4-benzothiazin-3-one
Formula:C21H15NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(4-phenylphenyl)methylidene]-4H-1,4-benzothiazin-3-one is a drug-like molecule.
| MolName | (2E)-2-[(4-phenylphenyl)methylidene]-4H-1,4-benzothiazin-3-one |
| MolecularFormula | C21H15NOS |
| Smiles | O=C1Nc(cccc2)c2S/C1=C/c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C21H15NOS/c23-21-20(24-19-9-5-4-8-18(19)22-21)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-14H,(H,22,23) |
| InChIK | IUWKELBMFQIXHR-UHFFFAOYSA-N |
| TotalMolweight | 329.422 |
| Molweight | 329.422 |
| MonoisotopicMass | 329.087434 |
| CLogP | 3.9162 |
| CLogS | -6.5 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 250.69 |
| Relative PSA | 0.1675 |
| PolarSurfaceArea | 54.4 |
| Druglikeness | 2.7028 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-2-[(4-phenylphenyl)methylidene]-4H-1,4-benzothiazin-3-one | 2 - (2E)-2-[(4-phenylphenyl)methylidene]-4H-1,4-benzothiazin-3-one
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