(E)-2-(morpholine-4-carbonyl)-3-thiophen-2-ylprop-2-enenitrile
Formula:C12H12N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(morpholine-4-carbonyl)-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(morpholine-4-carbonyl)-3-thiophen-2-ylprop-2-enenitrile |
| MolecularFormula | C12H12N2O2S |
| Smiles | N#C/C(/C(N1CCOCC1)=O)=C\c1cccs1 |
| InChI | InChI=1S/C12H12N2O2S/c13-9-10(8-11-2-1-7-17-11)12(15)14-3-5-16-6-4-14/h1-2,7-8H,3-6H2 |
| InChIK | FGMNJMXCMGUISE-UHFFFAOYSA-N |
| TotalMolweight | 248.305 |
| Molweight | 248.305 |
| MonoisotopicMass | 248.061948 |
| CLogP | 1.3817 |
| CLogS | -1.978 |
| H Acceptors | 4 |
| TotalSurfaceArea | 195.21 |
| Relative PSA | 0.30997 |
| PolarSurfaceArea | 81.57 |
| Druglikeness | 0.76718 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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