(E)-3-(1-benzylindol-3-yl)-1-(4-fluorophenyl)prop-2-en-1-one
Formula:C24H18NOF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1-benzylindol-3-yl)-1-(4-fluorophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(1-benzylindol-3-yl)-1-(4-fluorophenyl)prop-2-en-1-one |
| MolecularFormula | C24H18NOF |
| Smiles | O=C(/C=C/c1cn(Cc2ccccc2)c2c1cccc2)c(cc1)ccc1F |
| InChI | InChI=1S/C24H18FNO/c25-21-13-10-19(11-14-21)24(27)15-12-20-17-26(16-18-6-2-1-3-7-18)23-9-5-4-8-22(20)23/h1-15,17H,16H2 |
| InChIK | RERDDPUMMNVEFN-UHFFFAOYSA-N |
| TotalMolweight | 355.411 |
| Molweight | 355.411 |
| MonoisotopicMass | 355.137242 |
| CLogP | 4.9343 |
| CLogS | -5.132 |
| H Acceptors | 2 |
| TotalSurfaceArea | 280.94 |
| Relative PSA | 0.070869 |
| PolarSurfaceArea | 22 |
| Druglikeness | 1.3677 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| 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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