(E)-2-cyano-3-hydroxyprop-2-enamide
Formula:C4H4N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-2-cyano-3-hydroxyprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-hydroxyprop-2-enamide |
| MolecularFormula | C4H4N2O2 |
| Smiles | NC(/C(/C#N)=C/O)=O |
| InChI | InChI=1S/C4H4N2O2/c5-1-3(2-7)4(6)8/h2,7H,(H2,6,8) |
| InChIK | GOHUWTBTRCXSIW-UHFFFAOYSA-N |
| TotalMolweight | 112.088 |
| Molweight | 112.088 |
| MonoisotopicMass | 112.027278 |
| CLogP | -1.5636 |
| CLogS | -0.794 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 92.54 |
| Relative PSA | 0.59401 |
| PolarSurfaceArea | 87.11 |
| Druglikeness | -3.4291 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 8 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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