(3Z)-3-[(2,6-dichlorophenyl)methoxyimino]-1-(2-phenyl-1,3-thiazol-5-yl)propan-1-one
Formula:C19H14N2O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-[(2,6-dichlorophenyl)methoxyimino]-1-(2-phenyl-1,3-thiazol-5-yl)propan-1-one is not a drug-like molecule.
| MolName | (3Z)-3-[(2,6-dichlorophenyl)methoxyimino]-1-(2-phenyl-1,3-thiazol-5-yl)propan-1-one |
| MolecularFormula | C19H14N2O2Cl2S |
| Smiles | O=C(C/C=N\OCc(c(Cl)ccc1)c1Cl)c1cnc(-c2ccccc2)s1 |
| InChI | InChI=1S/C19H14Cl2N2O2S/c20-15-7-4-8-16(21)14(15)12-25-23-10-9-17(24)18-11-22-19(26-18)13-5-2-1-3-6-13/h1-8,10-11H,9,12H2 |
| InChIK | KNPLWQIDOMNDFF-UHFFFAOYSA-N |
| TotalMolweight | 405.304 |
| Molweight | 405.304 |
| MonoisotopicMass | 404.015302 |
| CLogP | 5.0383 |
| CLogS | -5.889 |
| H Acceptors | 4 |
| TotalSurfaceArea | 298.35 |
| Relative PSA | 0.22081 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 2.9631 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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