(E)-3-amino-2-cyanoprop-2-enamide
Formula:C4H5N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-3-amino-2-cyanoprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-amino-2-cyanoprop-2-enamide |
| MolecularFormula | C4H5N3O |
| Smiles | N/C=C(/C(N)=O)\C#N |
| InChI | InChI=1S/C4H5N3O/c5-1-3(2-6)4(7)8/h1H,5H2,(H2,7,8) |
| InChIK | FRBZBJHKHSVFNK-UHFFFAOYSA-N |
| TotalMolweight | 111.104 |
| Molweight | 111.104 |
| MonoisotopicMass | 111.043262 |
| CLogP | -1.9614 |
| CLogS | -0.87 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 94.71 |
| Relative PSA | 0.60332 |
| PolarSurfaceArea | 92.9 |
| Druglikeness | -3.4535 |
| 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 |
| Amides | 1 |
| StereoCon |
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