(2E)-2-[(4-chloroanilino)methylidene]-3-phenyl-3H-inden-1-one
Formula:C22H16NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(4-chloroanilino)methylidene]-3-phenyl-3H-inden-1-one is a drug-like molecule.
| MolName | (2E)-2-[(4-chloroanilino)methylidene]-3-phenyl-3H-inden-1-one |
| MolecularFormula | C22H16NOCl |
| Smiles | O=C(/C(/C1c2ccccc2)=C/Nc(cc2)ccc2Cl)c2c1cccc2 |
| InChI | InChI=1S/C22H16ClNO/c23-16-10-12-17(13-11-16)24-14-20-21(15-6-2-1-3-7-15)18-8-4-5-9-19(18)22(20)25/h1-14,21,24H/t21-/m1/s1 |
| InChIK | LKNXYTPIERDUPP-OAQYLSRUSA-N |
| TotalMolweight | 345.828 |
| Molweight | 345.828 |
| MonoisotopicMass | 345.092041 |
| CLogP | 4.3913 |
| CLogS | -5.844 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 261.12 |
| Relative PSA | 0.093827 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 0.9325 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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