(Z)-3-anilino-3-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)prop-2-en-1-one
Formula:C22H16NOCl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-anilino-3-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (Z)-3-anilino-3-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)prop-2-en-1-one |
| MolecularFormula | C22H16NOCl2FS |
| Smiles | O=C(/C=C(/Nc1ccccc1)\SCc(c(Cl)ccc1)c1Cl)c(cc1)ccc1F |
| InChI | InChI=1S/C22H16Cl2FNOS/c23-19-7-4-8-20(24)18(19)14-28-22(26-17-5-2-1-3-6-17)13-21(27)15-9-11-16(25)12-10-15/h1-13,26H,14H2 |
| InChIK | ROWWIYGIQINJTG-UHFFFAOYSA-N |
| TotalMolweight | 432.345 |
| Molweight | 432.345 |
| MonoisotopicMass | 431.031366 |
| CLogP | 6.2449 |
| CLogS | -7.884 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 315.14 |
| Relative PSA | 0.13324 |
| PolarSurfaceArea | 54.4 |
| Druglikeness | 0.11564 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - (Z)-3-anilino-3-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)prop-2-en-1-one | 2 - (Z)-3-anilino-3-[(2,6-dichlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)prop-2-en-1-one
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