2-[(2Z)-3-oxo-2-[(4-oxochromen-3-yl)methylidene]inden-1-ylidene]indene-1,3-dione
Formula:C28H14O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(2Z)-3-oxo-2-[(4-oxochromen-3-yl)methylidene]inden-1-ylidene]indene-1,3-dione is a drug-like molecule.
| MolName | 2-[(2Z)-3-oxo-2-[(4-oxochromen-3-yl)methylidene]inden-1-ylidene]indene-1,3-dione |
| MolecularFormula | C28H14O5 |
| Smiles | O=C(/C1=C\C2=COc(cccc3)c3C2=O)c(cccc2)c2C1=C(C(c1c2cccc1)=O)C2=O |
| InChI | InChI=1S/C28H14O5/c29-25-15(14-33-22-12-6-5-11-20(22)25)13-21-23(16-7-1-2-8-17(16)26(21)30)24-27(31)18-9-3-4-10-19(18)28(24)32/h1-14H |
| InChIK | AJIZZBPALADQOG-UHFFFAOYSA-N |
| TotalMolweight | 430.414 |
| Molweight | 430.414 |
| MonoisotopicMass | 430.084125 |
| CLogP | 4.1767 |
| CLogS | -6.387 |
| H Acceptors | 5 |
| TotalSurfaceArea | 305.62 |
| Relative PSA | 0.20339 |
| PolarSurfaceArea | 77.51 |
| Druglikeness | 0.38747 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 2-[(2Z)-3-oxo-2-[(4-oxochromen-3-yl)methylidene]inden-1-ylidene]indene-1,3-dione | 2 - 2-[(2Z)-3-oxo-2-[(4-oxochromen-3-yl)methylidene]inden-1-ylidene]indene-1,3-dione
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