(E)-3-(1-benzylindol-3-yl)-1-phenylprop-2-en-1-one
Formula:C24H19NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1-benzylindol-3-yl)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(1-benzylindol-3-yl)-1-phenylprop-2-en-1-one |
| MolecularFormula | C24H19NO |
| Smiles | O=C(/C=C/c1cn(Cc2ccccc2)c2c1cccc2)c1ccccc1 |
| InChI | InChI=1S/C24H19NO/c26-24(20-11-5-2-6-12-20)16-15-21-18-25(17-19-9-3-1-4-10-19)23-14-8-7-13-22(21)23/h1-16,18H,17H2 |
| InChIK | PJKNRGNGOCKIFF-UHFFFAOYSA-N |
| TotalMolweight | 337.421 |
| Molweight | 337.421 |
| MonoisotopicMass | 337.146664 |
| CLogP | 4.8335 |
| CLogS | -4.818 |
| H Acceptors | 2 |
| TotalSurfaceArea | 274.59 |
| Relative PSA | 0.072508 |
| PolarSurfaceArea | 22 |
| Druglikeness | 2.7077 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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