(E)-2-cyano-3-(2,4-dihydroxyphenyl)-N-phenylprop-2-enamide
Formula:C16H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-(2,4-dihydroxyphenyl)-N-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(2,4-dihydroxyphenyl)-N-phenylprop-2-enamide |
| MolecularFormula | C16H12N2O3 |
| Smiles | N#C/C(/C(Nc1ccccc1)=O)=C\c(ccc(O)c1)c1O |
| InChI | InChI=1S/C16H12N2O3/c17-10-12(8-11-6-7-14(19)9-15(11)20)16(21)18-13-4-2-1-3-5-13/h1-9,19-20H,(H,18,21) |
| InChIK | CIQRIUTZIOTVOY-UHFFFAOYSA-N |
| TotalMolweight | 280.282 |
| Molweight | 280.282 |
| MonoisotopicMass | 280.084793 |
| CLogP | 2.2969 |
| CLogS | -3.178 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 221.35 |
| Relative PSA | 0.29031 |
| PolarSurfaceArea | 93.35 |
| Druglikeness | -1.7495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-2-cyano-3-(2,4-dihydroxyphenyl)-N-phenylprop-2-enamide | 2 - (E)-2-cyano-3-(2,4-dihydroxyphenyl)-N-phenylprop-2-enamide
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