(3E)-5-(4-chlorophenyl)-3-[(2-hydroxyphenyl)methylidene]furan-2-one
Formula:C17H11O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-5-(4-chlorophenyl)-3-[(2-hydroxyphenyl)methylidene]furan-2-one is a drug-like molecule.
| MolName | (3E)-5-(4-chlorophenyl)-3-[(2-hydroxyphenyl)methylidene]furan-2-one |
| MolecularFormula | C17H11O3Cl |
| Smiles | Oc1c(/C=C(\C=C(c(cc2)ccc2Cl)O2)/C2=O)cccc1 |
| InChI | InChI=1S/C17H11ClO3/c18-14-7-5-11(6-8-14)16-10-13(17(20)21-16)9-12-3-1-2-4-15(12)19/h1-10,19H |
| InChIK | MEYYCAJJBLPNLA-UHFFFAOYSA-N |
| TotalMolweight | 298.724 |
| Molweight | 298.724 |
| MonoisotopicMass | 298.039672 |
| CLogP | 3.6835 |
| CLogS | -4.117 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 218.46 |
| Relative PSA | 0.16543 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | 0.032868 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| 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 | 2 |
| StereoCon |
Click to Load Molecule:
1 - (3E)-5-(4-chlorophenyl)-3-[(2-hydroxyphenyl)methylidene]furan-2-one | 2 - (3E)-5-(4-chlorophenyl)-3-[(2-hydroxyphenyl)methylidene]furan-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off