(3E)-5-chloro-3-[(4-phenoxyphenyl)methylidene]-1H-indol-2-one
Formula:C21H14NO2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-5-chloro-3-[(4-phenoxyphenyl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-5-chloro-3-[(4-phenoxyphenyl)methylidene]-1H-indol-2-one |
| MolecularFormula | C21H14NO2Cl |
| Smiles | O=C1Nc(ccc(Cl)c2)c2/C1=C\c(cc1)ccc1Oc1ccccc1 |
| InChI | InChI=1S/C21H14ClNO2/c22-15-8-11-20-18(13-15)19(21(24)23-20)12-14-6-9-17(10-7-14)25-16-4-2-1-3-5-16/h1-13H,(H,23,24) |
| InChIK | CHAXVTRPJFTHIO-UHFFFAOYSA-N |
| TotalMolweight | 347.8 |
| Molweight | 347.8 |
| MonoisotopicMass | 347.071306 |
| CLogP | 4.2673 |
| CLogS | -6.402 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 258.62 |
| Relative PSA | 0.1334 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | 2.6965 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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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