(E)-3-(2-bromophenyl)-2-cyanoprop-2-enamide
Formula:C10H7N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-3-(2-bromophenyl)-2-cyanoprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-bromophenyl)-2-cyanoprop-2-enamide |
| MolecularFormula | C10H7N2OBr |
| Smiles | NC(/C(/C#N)=C/c(cccc1)c1Br)=O |
| InChI | InChI=1S/C10H7BrN2O/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-5H,(H2,13,14) |
| InChIK | NNFOXMASXHPUKU-UHFFFAOYSA-N |
| TotalMolweight | 251.083 |
| Molweight | 251.083 |
| MonoisotopicMass | 249.974174 |
| CLogP | 1.6533 |
| CLogS | -3.181 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 164.58 |
| Relative PSA | 0.25441 |
| PolarSurfaceArea | 66.88 |
| Druglikeness | -4.9766 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Amides | 1 |
| StereoCon |
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