(E)-3-[5-(2-nitrophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one
Formula:C18H12N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(2-nitrophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[5-(2-nitrophenyl)furan-2-yl]-1-pyridin-3-ylprop-2-en-1-one |
| MolecularFormula | C18H12N2O4 |
| Smiles | [O-][N+](c(cccc1)c1-c1ccc(/C=C/C(c2cnccc2)=O)o1)=O |
| InChI | InChI=1S/C18H12N2O4/c21-17(13-4-3-11-19-12-13)9-7-14-8-10-18(24-14)15-5-1-2-6-16(15)20(22)23/h1-12H |
| InChIK | WOJCTWFNRWRUJK-UHFFFAOYSA-N |
| TotalMolweight | 320.303 |
| Molweight | 320.303 |
| MonoisotopicMass | 320.079708 |
| CLogP | 2.3202 |
| CLogS | -4.965 |
| H Acceptors | 6 |
| TotalSurfaceArea | 249.15 |
| Relative PSA | 0.2751 |
| PolarSurfaceArea | 88.92 |
| Druglikeness | -3.1749 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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