(E)-N-(2-oxochromen-6-yl)-3-phenylsulfanylprop-2-enamide
Formula:C18H13NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-oxochromen-6-yl)-3-phenylsulfanylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-oxochromen-6-yl)-3-phenylsulfanylprop-2-enamide |
| MolecularFormula | C18H13NO3S |
| Smiles | O=C(/C=C/Sc1ccccc1)Nc(cc1)cc(C=C2)c1OC2=O |
| InChI | InChI=1S/C18H13NO3S/c20-17(10-11-23-15-4-2-1-3-5-15)19-14-7-8-16-13(12-14)6-9-18(21)22-16/h1-12H,(H,19,20) |
| InChIK | QZCZOCBRKCBSRR-UHFFFAOYSA-N |
| TotalMolweight | 323.371 |
| Molweight | 323.371 |
| MonoisotopicMass | 323.061614 |
| CLogP | 3.0206 |
| CLogS | -4.64 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 246.97 |
| Relative PSA | 0.26331 |
| PolarSurfaceArea | 80.7 |
| Druglikeness | -2.4959 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-(2-oxochromen-6-yl)-3-phenylsulfanylprop-2-enamide | 2 - (E)-N-(2-oxochromen-6-yl)-3-phenylsulfanylprop-2-enamide
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