(E)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
Formula:C13H12N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C13H12N2OS |
| Smiles | O=C(/C=C/c1cccs1)NCc1ncccc1 |
| InChI | InChI=1S/C13H12N2OS/c16-13(7-6-12-5-3-9-17-12)15-10-11-4-1-2-8-14-11/h1-9H,10H2,(H,15,16) |
| InChIK | DNEBMUGYDWPYTF-UHFFFAOYSA-N |
| TotalMolweight | 244.317 |
| Molweight | 244.317 |
| MonoisotopicMass | 244.067033 |
| CLogP | 1.7654 |
| CLogS | -2.553 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 197.19 |
| Relative PSA | 0.28313 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 2.0806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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