(E)-N'-(2-oxothiolan-3-yl)but-2-enediamide
Formula:C8H10N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N'-(2-oxothiolan-3-yl)but-2-enediamide is a drug-like molecule.
| MolName | (E)-N'-(2-oxothiolan-3-yl)but-2-enediamide |
| MolecularFormula | C8H10N2O3S |
| Smiles | NC(/C=C/C(NC(CCS1)C1=O)=O)=O |
| InChI | InChI=1S/C8H10N2O3S/c9-6(11)1-2-7(12)10-5-3-4-14-8(5)13/h1-2,5H,3-4H2,(H2,9,11)(H,10,12)/t5-/m1/s1 |
| InChIK | ZGUKXGNOJZQBIH-RXMQYKEDSA-N |
| TotalMolweight | 214.244 |
| Molweight | 214.244 |
| MonoisotopicMass | 214.041213 |
| CLogP | -1.5652 |
| CLogS | -0.565 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 157.24 |
| Relative PSA | 0.53002 |
| PolarSurfaceArea | 114.56 |
| Druglikeness | -0.18366 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
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