(E)-3-(1H-indol-3-yl)-1-phenylprop-2-en-1-one
Formula:C17H13NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1H-indol-3-yl)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(1H-indol-3-yl)-1-phenylprop-2-en-1-one |
| MolecularFormula | C17H13NO |
| Smiles | O=C(/C=C/c1c[nH]c2c1cccc2)c1ccccc1 |
| InChI | InChI=1S/C17H13NO/c19-17(13-6-2-1-3-7-13)11-10-14-12-18-16-9-5-4-8-15(14)16/h1-12,18H |
| InChIK | XVTDCPBGCCPEBA-UHFFFAOYSA-N |
| TotalMolweight | 247.296 |
| Molweight | 247.296 |
| MonoisotopicMass | 247.099714 |
| CLogP | 3.3432 |
| CLogS | -4.365 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 201.44 |
| Relative PSA | 0.13418 |
| PolarSurfaceArea | 32.86 |
| Druglikeness | 0.95633 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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