(3E)-3-[2-(4-chlorophenyl)-1-phenylethylidene]-1H-indol-2-one
Formula:C22H16NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-3-[2-(4-chlorophenyl)-1-phenylethylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-[2-(4-chlorophenyl)-1-phenylethylidene]-1H-indol-2-one |
| MolecularFormula | C22H16NOCl |
| Smiles | O=C1Nc(cccc2)c2/C1=C(/Cc(cc1)ccc1Cl)\c1ccccc1 |
| InChI | InChI=1S/C22H16ClNO/c23-17-12-10-15(11-13-17)14-19(16-6-2-1-3-7-16)21-18-8-4-5-9-20(18)24-22(21)25/h1-13H,14H2,(H,24,25) |
| InChIK | ASVUUROYHGYNHN-UHFFFAOYSA-N |
| TotalMolweight | 345.828 |
| Molweight | 345.828 |
| MonoisotopicMass | 345.092041 |
| CLogP | 4.534 |
| CLogS | -4.969 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 260.59 |
| Relative PSA | 0.094017 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 2.6803 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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