(E)-3-(1H-indol-3-yl)-1-piperidin-1-ylprop-2-en-1-one
Formula:C16H18N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1H-indol-3-yl)-1-piperidin-1-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(1H-indol-3-yl)-1-piperidin-1-ylprop-2-en-1-one |
| MolecularFormula | C16H18N2O |
| Smiles | O=C(/C=C/c1c[nH]c2c1cccc2)N1CCCCC1 |
| InChI | InChI=1S/C16H18N2O/c19-16(18-10-4-1-5-11-18)9-8-13-12-17-15-7-3-2-6-14(13)15/h2-3,6-9,12,17H,1,4-5,10-11H2 |
| InChIK | GOFNFQSZIIUMDO-UHFFFAOYSA-N |
| TotalMolweight | 254.332 |
| Molweight | 254.332 |
| MonoisotopicMass | 254.141913 |
| CLogP | 2.8665 |
| CLogS | -3.11 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 207.28 |
| Relative PSA | 0.14753 |
| PolarSurfaceArea | 36.1 |
| Druglikeness | 0.80878 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| 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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