(4Z)-4-[(4-bromophenyl)methylidene]isochromene-1,3-dione
Formula:C16H9O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(4Z)-4-[(4-bromophenyl)methylidene]isochromene-1,3-dione is a drug-like molecule.
| MolName | (4Z)-4-[(4-bromophenyl)methylidene]isochromene-1,3-dione |
| MolecularFormula | C16H9O3Br |
| Smiles | O=C(/C(/c1c2cccc1)=C\c(cc1)ccc1Br)OC2=O |
| InChI | InChI=1S/C16H9BrO3/c17-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(18)20-16(14)19/h1-9H |
| InChIK | NCTXZKWGTLEAOD-UHFFFAOYSA-N |
| TotalMolweight | 329.148 |
| Molweight | 329.148 |
| MonoisotopicMass | 327.973506 |
| CLogP | 3.0951 |
| CLogS | -4.284 |
| H Acceptors | 3 |
| TotalSurfaceArea | 208.36 |
| Relative PSA | 0.17316 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | -15.605 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | anhydride |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (4Z)-4-[(4-bromophenyl)methylidene]isochromene-1,3-dione | 2 - (4Z)-4-[(4-bromophenyl)methylidene]isochromene-1,3-dione
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