(2Z)-2-[(3-nitrophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
Formula:C13H11N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(3-nitrophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is a drug-like molecule.
| MolName | (2Z)-2-[(3-nitrophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one |
| MolecularFormula | C13H11N3O3S |
| Smiles | [O-][N+](c1cccc(/C=C2\N=C3SCCCN3C2=O)c1)=O |
| InChI | InChI=1S/C13H11N3O3S/c17-12-11(14-13-15(12)5-2-6-20-13)8-9-3-1-4-10(7-9)16(18)19/h1,3-4,7-8H,2,5-6H2 |
| InChIK | JZGOUOWBFXUHJO-UHFFFAOYSA-N |
| TotalMolweight | 289.314 |
| Molweight | 289.314 |
| MonoisotopicMass | 289.052112 |
| CLogP | 1.014 |
| CLogS | -3.867 |
| H Acceptors | 6 |
| TotalSurfaceArea | 204.43 |
| Relative PSA | 0.37181 |
| PolarSurfaceArea | 103.79 |
| Druglikeness | -0.49475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2Z)-2-[(3-nitrophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one | 2 - (2Z)-2-[(3-nitrophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
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