(3E)-6-chloro-3-[(4-phenylphenyl)methylidene]-1H-indol-2-one
Formula:C21H14NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-6-chloro-3-[(4-phenylphenyl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-6-chloro-3-[(4-phenylphenyl)methylidene]-1H-indol-2-one |
| MolecularFormula | C21H14NOCl |
| Smiles | O=C1Nc(cc(cc2)Cl)c2/C1=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C21H14ClNO/c22-17-10-11-18-19(21(24)23-20(18)13-17)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-13H,(H,23,24) |
| InChIK | CJUHPJFPJCFKDZ-UHFFFAOYSA-N |
| TotalMolweight | 331.801 |
| Molweight | 331.801 |
| MonoisotopicMass | 331.076391 |
| CLogP | 4.5309 |
| CLogS | -6.191 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 248.62 |
| Relative PSA | 0.098544 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 2.7491 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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