(1E,4E)-1-(4-bromophenyl)-5-(1H-indol-3-yl)penta-1,4-dien-3-one
Formula:C19H14NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E,4E)-1-(4-bromophenyl)-5-(1H-indol-3-yl)penta-1,4-dien-3-one is a drug-like molecule.
| MolName | (1E,4E)-1-(4-bromophenyl)-5-(1H-indol-3-yl)penta-1,4-dien-3-one |
| MolecularFormula | C19H14NOBr |
| Smiles | O=C(/C=C/c1c[nH]c2c1cccc2)/C=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C19H14BrNO/c20-16-9-5-14(6-10-16)7-11-17(22)12-8-15-13-21-19-4-2-1-3-18(15)19/h1-13,21H |
| InChIK | OZBBUNKMZHVKAX-UHFFFAOYSA-N |
| TotalMolweight | 352.23 |
| Molweight | 352.23 |
| MonoisotopicMass | 351.025875 |
| CLogP | 4.6892 |
| CLogS | -5.345 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 246.57 |
| Relative PSA | 0.10962 |
| PolarSurfaceArea | 32.86 |
| Druglikeness | -0.33893 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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