(3E)-3-[(3,4-dichlorophenyl)methoxyimino]-1-phenylindol-2-one
Formula:C21H14N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(3,4-dichlorophenyl)methoxyimino]-1-phenylindol-2-one is not a drug-like molecule.
| MolName | (3E)-3-[(3,4-dichlorophenyl)methoxyimino]-1-phenylindol-2-one |
| MolecularFormula | C21H14N2O2Cl2 |
| Smiles | O=C(/C(/c1c2cccc1)=N/OCc(cc1)cc(Cl)c1Cl)N2c1ccccc1 |
| InChI | InChI=1S/C21H14Cl2N2O2/c22-17-11-10-14(12-18(17)23)13-27-24-20-16-8-4-5-9-19(16)25(21(20)26)15-6-2-1-3-7-15/h1-12H,13H2 |
| InChIK | IEJKTPALNPURML-UHFFFAOYSA-N |
| TotalMolweight | 397.26 |
| Molweight | 397.26 |
| MonoisotopicMass | 396.043232 |
| CLogP | 5.8477 |
| CLogS | -7.358 |
| H Acceptors | 4 |
| TotalSurfaceArea | 284.9 |
| Relative PSA | 0.13373 |
| PolarSurfaceArea | 41.9 |
| Druglikeness | 4.3465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (3E)-3-[(3,4-dichlorophenyl)methoxyimino]-1-phenylindol-2-one | 2 - (3E)-3-[(3,4-dichlorophenyl)methoxyimino]-1-phenylindol-2-one
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