(E)-3-chloroprop-2-enamide
Formula:C3H4NOCl
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
(E)-3-chloroprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-chloroprop-2-enamide |
| MolecularFormula | C3H4NOCl |
| Smiles | NC(/C=C/Cl)=O |
| InChI | InChI=1S/C3H4ClNO/c4-2-1-3(5)6/h1-2H,(H2,5,6) |
| InChIK | GDVYZGMAXSNLGM-UHFFFAOYSA-N |
| TotalMolweight | 105.524 |
| Molweight | 105.524 |
| MonoisotopicMass | 104.998141 |
| CLogP | -0.3047 |
| CLogS | -1.152 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 81.69 |
| Relative PSA | 0.34655 |
| PolarSurfaceArea | 43.09 |
| Druglikeness | -1.3584 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | 3-halo-enone |
| Shape Index | 0.83333 |
| Fragments | 1 |
| Non HAtoms | 6 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-chloroprop-2-enamide | 2 - (E)-3-chloroprop-2-enamide
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