(E)-3-(4-nitrophenyl)-N-pyrimidin-2-ylprop-2-enamide
Formula:C13H10N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-nitrophenyl)-N-pyrimidin-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-nitrophenyl)-N-pyrimidin-2-ylprop-2-enamide |
| MolecularFormula | C13H10N4O3 |
| Smiles | [O-][N+](c1ccc(/C=C/C(Nc2ncccn2)=O)cc1)=O |
| InChI | InChI=1S/C13H10N4O3/c18-12(16-13-14-8-1-9-15-13)7-4-10-2-5-11(6-3-10)17(19)20/h1-9H,(H,14,15,16,18) |
| InChIK | OURQDSLQVPWTST-UHFFFAOYSA-N |
| TotalMolweight | 270.247 |
| Molweight | 270.247 |
| MonoisotopicMass | 270.075291 |
| CLogP | 1.021 |
| CLogS | -3.225 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 209.92 |
| Relative PSA | 0.36614 |
| PolarSurfaceArea | 100.7 |
| Druglikeness | -5.5383 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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