(E)-3-(furan-2-yl)-N-(4-nitrophenyl)prop-2-enamide
Formula:C13H10N2O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-N-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-(4-nitrophenyl)prop-2-enamide |
| MolecularFormula | C13H10N2O4 |
| Smiles | [O-][N+](c(cc1)ccc1NC(/C=C/c1ccco1)=O)=O |
| InChI | InChI=1S/C13H10N2O4/c16-13(8-7-12-2-1-9-19-12)14-10-3-5-11(6-4-10)15(17)18/h1-9H,(H,14,16) |
| InChIK | GRWSAVOENZYCOC-UHFFFAOYSA-N |
| TotalMolweight | 258.232 |
| Molweight | 258.232 |
| MonoisotopicMass | 258.064058 |
| CLogP | 1.4034 |
| CLogS | -3.64 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 202.09 |
| Relative PSA | 0.34158 |
| PolarSurfaceArea | 88.06 |
| Druglikeness | -5.2638 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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