(2E)-2-(thiophen-2-ylmethylidene)-4H-1,4-benzothiazin-3-one
Formula:C13H9NOS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-(thiophen-2-ylmethylidene)-4H-1,4-benzothiazin-3-one is a drug-like molecule.
| MolName | (2E)-2-(thiophen-2-ylmethylidene)-4H-1,4-benzothiazin-3-one |
| MolecularFormula | C13H9NOS2 |
| Smiles | O=C1Nc(cccc2)c2S/C1=C/c1cccs1 |
| InChI | InChI=1S/C13H9NOS2/c15-13-12(8-9-4-3-7-16-9)17-11-6-2-1-5-10(11)14-13/h1-8H,(H,14,15) |
| InChIK | TVXDSWUMDVVFSL-UHFFFAOYSA-N |
| TotalMolweight | 259.352 |
| Molweight | 259.352 |
| MonoisotopicMass | 259.012554 |
| CLogP | 2.1236 |
| CLogS | -4.424 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 186.87 |
| Relative PSA | 0.33365 |
| PolarSurfaceArea | 82.64 |
| Druglikeness | 3.2828 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2E)-2-(thiophen-2-ylmethylidene)-4H-1,4-benzothiazin-3-one | 2 - (2E)-2-(thiophen-2-ylmethylidene)-4H-1,4-benzothiazin-3-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off