(E)-3-(1H-indol-3-yl)-1-thiophen-2-ylprop-2-en-1-one
Formula:C15H11NOS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1H-indol-3-yl)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(1H-indol-3-yl)-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C15H11NOS |
| Smiles | O=C(/C=C/c1c[nH]c2c1cccc2)c1cccs1 |
| InChI | InChI=1S/C15H11NOS/c17-14(15-6-3-9-18-15)8-7-11-10-16-13-5-2-1-4-12(11)13/h1-10,16H |
| InChIK | JUIAOWGQECPCGY-UHFFFAOYSA-N |
| TotalMolweight | 253.324 |
| Molweight | 253.324 |
| MonoisotopicMass | 253.056134 |
| CLogP | 3.2098 |
| CLogS | -4.375 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 197.38 |
| Relative PSA | 0.2401 |
| PolarSurfaceArea | 61.1 |
| Druglikeness | 3.2508 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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