(3Z)-5-(4-bromophenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one
Formula:C17H11O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3Z)-5-(4-bromophenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one is a drug-like molecule.
| MolName | (3Z)-5-(4-bromophenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one |
| MolecularFormula | C17H11O3Br |
| Smiles | Oc1ccc(/C=C(/C=C(c(cc2)ccc2Br)O2)\C2=O)cc1 |
| InChI | InChI=1S/C17H11BrO3/c18-14-5-3-12(4-6-14)16-10-13(17(20)21-16)9-11-1-7-15(19)8-2-11/h1-10,19H |
| InChIK | MCFSANHAUDJWRS-UHFFFAOYSA-N |
| TotalMolweight | 343.175 |
| Molweight | 343.175 |
| MonoisotopicMass | 341.989156 |
| CLogP | 3.8027 |
| CLogS | -4.215 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 221.67 |
| Relative PSA | 0.16304 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -1.8662 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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