(2Z)-2-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol
Formula:C22H17O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol is not a drug-like molecule.
| MolName | (2Z)-2-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol |
| MolecularFormula | C22H17O3Cl |
| Smiles | OC1c(cccc2)c2O/C1=C\c(cc(cc1)Cl)c1OCc1ccccc1 |
| InChI | InChI=1S/C22H17ClO3/c23-17-10-11-19(25-14-15-6-2-1-3-7-15)16(12-17)13-21-22(24)18-8-4-5-9-20(18)26-21/h1-13,22,24H,14H2/t22-/m1/s1 |
| InChIK | NEOFDOFWDRKBAC-JOCHJYFZSA-N |
| TotalMolweight | 364.827 |
| Molweight | 364.827 |
| MonoisotopicMass | 364.086622 |
| CLogP | 5.0975 |
| CLogS | -5.49 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 272.02 |
| Relative PSA | 0.12168 |
| PolarSurfaceArea | 38.69 |
| Druglikeness | -0.48702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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