4-[(3Z)-3-hydroxyimino-1-(4-hydroxyphenyl)-2-benzofuran-1-yl]phenol
Formula:C20H15NO4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(3Z)-3-hydroxyimino-1-(4-hydroxyphenyl)-2-benzofuran-1-yl]phenol is a drug-like molecule.
| MolName | 4-[(3Z)-3-hydroxyimino-1-(4-hydroxyphenyl)-2-benzofuran-1-yl]phenol |
| MolecularFormula | C20H15NO4 |
| Smiles | Oc1ccc(C(c2c3cccc2)(c(cc2)ccc2O)O/C3=N\O)cc1 |
| InChI | InChI=1S/C20H15NO4/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)18-4-2-1-3-17(18)19(21-24)25-20/h1-12,22-24H |
| InChIK | YIKHIIGHHCTTME-UHFFFAOYSA-N |
| TotalMolweight | 333.342 |
| Molweight | 333.342 |
| MonoisotopicMass | 333.100109 |
| CLogP | 4.1596 |
| CLogS | -3.435 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 241.71 |
| Relative PSA | 0.25158 |
| PolarSurfaceArea | 82.28 |
| Druglikeness | -1.1145 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 9 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(3Z)-3-hydroxyimino-1-(4-hydroxyphenyl)-2-benzofuran-1-yl]phenol | 2 - 4-[(3Z)-3-hydroxyimino-1-(4-hydroxyphenyl)-2-benzofuran-1-yl]phenol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off