(2E)-2-(1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)hydrazinylidene]acetamide
Formula:C15H11N4OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-(1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)hydrazinylidene]acetamide is a drug-like molecule.
| MolName | (2E)-2-(1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)hydrazinylidene]acetamide |
| MolecularFormula | C15H11N4OFS |
| Smiles | NC(/C(/c1nc(cccc2)c2s1)=N\Nc(cc1)ccc1F)=O |
| InChI | InChI=1S/C15H11FN4OS/c16-9-5-7-10(8-6-9)19-20-13(14(17)21)15-18-11-3-1-2-4-12(11)22-15/h1-8,19H,(H2,17,21) |
| InChIK | YFDRKVDIDQBIQO-UHFFFAOYSA-N |
| TotalMolweight | 314.343 |
| Molweight | 314.343 |
| MonoisotopicMass | 314.063759 |
| CLogP | 3.2127 |
| CLogS | -3.638 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 229.37 |
| Relative PSA | 0.36016 |
| PolarSurfaceArea | 108.61 |
| Druglikeness | 2.4805 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2E)-2-(1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)hydrazinylidene]acetamide | 2 - (2E)-2-(1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)hydrazinylidene]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off