(E)-1-(5-phenacylsulfanyl-1,2,4-triazol-1-yl)-3-phenylprop-2-en-1-one
Formula:C19H15N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(5-phenacylsulfanyl-1,2,4-triazol-1-yl)-3-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(5-phenacylsulfanyl-1,2,4-triazol-1-yl)-3-phenylprop-2-en-1-one |
| MolecularFormula | C19H15N3O2S |
| Smiles | O=C(CSc1ncnn1C(/C=C/c1ccccc1)=O)c1ccccc1 |
| InChI | InChI=1S/C19H15N3O2S/c23-17(16-9-5-2-6-10-16)13-25-19-20-14-21-22(19)18(24)12-11-15-7-3-1-4-8-15/h1-12,14H,13H2 |
| InChIK | PNQLZQNYHCQABF-UHFFFAOYSA-N |
| TotalMolweight | 349.413 |
| Molweight | 349.413 |
| MonoisotopicMass | 349.088497 |
| CLogP | 3.1703 |
| CLogS | -4.885 |
| H Acceptors | 5 |
| TotalSurfaceArea | 272.75 |
| Relative PSA | 0.26537 |
| PolarSurfaceArea | 90.15 |
| Druglikeness | 2.8307 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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