2-[(E)-3-oxo-5-phenylpent-4-enyl]indene-1,3-dione
Formula:C20H16O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(E)-3-oxo-5-phenylpent-4-enyl]indene-1,3-dione is a drug-like molecule.
| MolName | 2-[(E)-3-oxo-5-phenylpent-4-enyl]indene-1,3-dione |
| MolecularFormula | C20H16O3 |
| Smiles | O=C(CCC(C(c1c2cccc1)=O)C2=O)/C=C/c1ccccc1 |
| InChI | InChI=1S/C20H16O3/c21-15(11-10-14-6-2-1-3-7-14)12-13-18-19(22)16-8-4-5-9-17(16)20(18)23/h1-11,18H,12-13H2 |
| InChIK | OVTPBTNONQPUQV-UHFFFAOYSA-N |
| TotalMolweight | 304.344 |
| Molweight | 304.344 |
| MonoisotopicMass | 304.109945 |
| CLogP | 3.7253 |
| CLogS | -4.962 |
| H Acceptors | 3 |
| TotalSurfaceArea | 239.29 |
| Relative PSA | 0.16348 |
| PolarSurfaceArea | 51.21 |
| Druglikeness | 0.29584 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - 2-[(E)-3-oxo-5-phenylpent-4-enyl]indene-1,3-dione | 2 - 2-[(E)-3-oxo-5-phenylpent-4-enyl]indene-1,3-dione
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