(1E,4E)-1-(furan-2-yl)-5-(1H-indol-3-yl)penta-1,4-dien-3-one
Formula:C17H13NO2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(1E,4E)-1-(furan-2-yl)-5-(1H-indol-3-yl)penta-1,4-dien-3-one is a drug-like molecule.
| MolName | (1E,4E)-1-(furan-2-yl)-5-(1H-indol-3-yl)penta-1,4-dien-3-one |
| MolecularFormula | C17H13NO2 |
| Smiles | O=C(/C=C/c1c[nH]c2c1cccc2)/C=C/c1ccco1 |
| InChI | InChI=1S/C17H13NO2/c19-14(9-10-15-4-3-11-20-15)8-7-13-12-18-17-6-2-1-5-16(13)17/h1-12,18H |
| InChIK | MMGUYIDLIBARPC-UHFFFAOYSA-N |
| TotalMolweight | 263.295 |
| Molweight | 263.295 |
| MonoisotopicMass | 263.094629 |
| CLogP | 3.1527 |
| CLogS | -4.193 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 217.63 |
| Relative PSA | 0.18904 |
| PolarSurfaceArea | 46 |
| Druglikeness | 1.3609 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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