(E)-3-(3,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide
Formula:C13H9N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide |
| MolecularFormula | C13H9N3OCl2 |
| Smiles | O=C(/C=C/c(cc1)cc(Cl)c1Cl)Nc1ncccn1 |
| InChI | InChI=1S/C13H9Cl2N3O/c14-10-4-2-9(8-11(10)15)3-5-12(19)18-13-16-6-1-7-17-13/h1-8H,(H,16,17,18,19) |
| InChIK | JTHSNBISHBAIGE-UHFFFAOYSA-N |
| TotalMolweight | 294.14 |
| Molweight | 294.14 |
| MonoisotopicMass | 293.012266 |
| CLogP | 3.1546 |
| CLogS | -4.237 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 217.09 |
| Relative PSA | 0.21392 |
| PolarSurfaceArea | 54.88 |
| Druglikeness | -0.36294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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