(E)-3-(1H-indol-3-yl)-1-morpholin-4-ylprop-2-en-1-one
Formula:C15H16N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1H-indol-3-yl)-1-morpholin-4-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(1H-indol-3-yl)-1-morpholin-4-ylprop-2-en-1-one |
| MolecularFormula | C15H16N2O2 |
| Smiles | O=C(/C=C/c1c[nH]c2c1cccc2)N1CCOCC1 |
| InChI | InChI=1S/C15H16N2O2/c18-15(17-7-9-19-10-8-17)6-5-12-11-16-14-4-2-1-3-13(12)14/h1-6,11,16H,7-10H2 |
| InChIK | PTQOVMYCCILAIZ-UHFFFAOYSA-N |
| TotalMolweight | 256.304 |
| Molweight | 256.304 |
| MonoisotopicMass | 256.121178 |
| CLogP | 1.7025 |
| CLogS | -2.221 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 203.52 |
| Relative PSA | 0.19939 |
| PolarSurfaceArea | 45.33 |
| Druglikeness | 1.9944 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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