(E)-3-(3-nitrophenyl)-N-(3-nitropyridin-4-yl)prop-2-enamide
Formula:C14H10N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-nitrophenyl)-N-(3-nitropyridin-4-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3-nitrophenyl)-N-(3-nitropyridin-4-yl)prop-2-enamide |
| MolecularFormula | C14H10N4O5 |
| Smiles | [O-][N+](c1cccc(/C=C/C(Nc(ccnc2)c2[N+]([O-])=O)=O)c1)=O |
| InChI | InChI=1S/C14H10N4O5/c19-14(16-12-6-7-15-9-13(12)18(22)23)5-4-10-2-1-3-11(8-10)17(20)21/h1-9H,(H,15,16,19) |
| InChIK | MZQPUQRLTDJJST-UHFFFAOYSA-N |
| TotalMolweight | 314.256 |
| Molweight | 314.256 |
| MonoisotopicMass | 314.065121 |
| CLogP | 0.2922 |
| CLogS | -3.623 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 234.83 |
| Relative PSA | 0.41013 |
| PolarSurfaceArea | 133.63 |
| Druglikeness | -5.5383 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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