(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenyloxolane-2,3-dione
Formula:C17H11O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenyloxolane-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenyloxolane-2,3-dione |
| MolecularFormula | C17H11O4Cl |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c1ccccc1)OC1=O)/C1=O |
| InChI | InChI=1S/C17H11ClO4/c18-12-8-6-10(7-9-12)14(19)13-15(20)17(21)22-16(13)11-4-2-1-3-5-11/h1-9,16,19H/t16-/m1/s1 |
| InChIK | XYLSHUIYYVABSG-MRXNPFEDSA-N |
| TotalMolweight | 314.723 |
| Molweight | 314.723 |
| MonoisotopicMass | 314.034587 |
| CLogP | 2.4357 |
| CLogS | -3.382 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 222.21 |
| Relative PSA | 0.22132 |
| PolarSurfaceArea | 63.6 |
| Druglikeness | -8.1151 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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