(E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfanylphenyl]prop-2-enamide
Formula:C19H14N2O4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfanylphenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-[4-(4-nitrophenyl)sulfanylphenyl]prop-2-enamide |
| MolecularFormula | C19H14N2O4S |
| Smiles | [O-][N+](c(cc1)ccc1Sc(cc1)ccc1NC(/C=C/c1ccco1)=O)=O |
| InChI | InChI=1S/C19H14N2O4S/c22-19(12-7-16-2-1-13-25-16)20-14-3-8-17(9-4-14)26-18-10-5-15(6-11-18)21(23)24/h1-13H,(H,20,22) |
| InChIK | ZDISFUCTCGRSSQ-UHFFFAOYSA-N |
| TotalMolweight | 366.396 |
| Molweight | 366.396 |
| MonoisotopicMass | 366.067428 |
| CLogP | 3.2245 |
| CLogS | -5.426 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 279.34 |
| Relative PSA | 0.30973 |
| PolarSurfaceArea | 113.36 |
| Druglikeness | -4.8356 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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