(E)-N,N-bis(prop-2-enyl)-3-thiophen-2-ylprop-2-enamide
Formula:C13H15NOS
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
(E)-N,N-bis(prop-2-enyl)-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N,N-bis(prop-2-enyl)-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C13H15NOS |
| Smiles | C=CCN(CC=C)C(/C=C/c1cccs1)=O |
| InChI | InChI=1S/C13H15NOS/c1-3-9-14(10-4-2)13(15)8-7-12-6-5-11-16-12/h3-8,11H,1-2,9-10H2 |
| InChIK | XYKWDVAKUGKHNG-UHFFFAOYSA-N |
| TotalMolweight | 233.334 |
| Molweight | 233.334 |
| MonoisotopicMass | 233.087434 |
| CLogP | 2.9111 |
| CLogS | -2.657 |
| H Acceptors | 2 |
| TotalSurfaceArea | 200.35 |
| Relative PSA | 0.18443 |
| PolarSurfaceArea | 48.55 |
| Druglikeness | 1.0993 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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