(E)-2-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylprop-2-enenitrile
Formula:C15H9N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylprop-2-enenitrile |
| MolecularFormula | C15H9N3S |
| Smiles | N#C/C(/c1nc(cccc2)c2s1)=C\c1ncccc1 |
| InChI | InChI=1S/C15H9N3S/c16-10-11(9-12-5-3-4-8-17-12)15-18-13-6-1-2-7-14(13)19-15/h1-9H |
| InChIK | GJGQVPXHUUNRPB-UHFFFAOYSA-N |
| TotalMolweight | 263.323 |
| Molweight | 263.323 |
| MonoisotopicMass | 263.051717 |
| CLogP | 2.3929 |
| CLogS | -3.122 |
| H Acceptors | 3 |
| TotalSurfaceArea | 207.5 |
| Relative PSA | 0.2692 |
| PolarSurfaceArea | 77.81 |
| Druglikeness | -3.0693 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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