(6E)-6-[(2-nitrophenyl)methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Formula:C16H9N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6E)-6-[(2-nitrophenyl)methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is a drug-like molecule.
| MolName | (6E)-6-[(2-nitrophenyl)methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one |
| MolecularFormula | C16H9N5O3S |
| Smiles | [O-][N+](c1c(/C=C2/Sc3nnc(-c4cnccc4)n3C2=O)cccc1)=O |
| InChI | InChI=1S/C16H9N5O3S/c22-15-13(8-10-4-1-2-6-12(10)21(23)24)25-16-19-18-14(20(15)16)11-5-3-7-17-9-11/h1-9H |
| InChIK | FSRJYDVLVFHNDO-UHFFFAOYSA-N |
| TotalMolweight | 351.345 |
| Molweight | 351.345 |
| MonoisotopicMass | 351.04261 |
| CLogP | 1.397 |
| CLogS | -4.684 |
| H Acceptors | 8 |
| TotalSurfaceArea | 248.38 |
| Relative PSA | 0.40555 |
| PolarSurfaceArea | 131.79 |
| Druglikeness | -0.87937 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6E)-6-[(2-nitrophenyl)methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one | 2 - (6E)-6-[(2-nitrophenyl)methylidene]-3-pyridin-3-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
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