(E)-3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)prop-2-en-1-one
Formula:C16H9NOCl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)prop-2-en-1-one |
| MolecularFormula | C16H9NOCl2S2 |
| Smiles | O=C(/C=C/Sc1nc(cc(cc2)Cl)c2s1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H9Cl2NOS2/c17-11-3-1-10(2-4-11)14(20)7-8-21-16-19-13-9-12(18)5-6-15(13)22-16/h1-9H |
| InChIK | WICUZGOACNWMGW-UHFFFAOYSA-N |
| TotalMolweight | 366.291 |
| Molweight | 366.291 |
| MonoisotopicMass | 364.950258 |
| CLogP | 5.0642 |
| CLogS | -6.536 |
| H Acceptors | 2 |
| TotalSurfaceArea | 254.9 |
| Relative PSA | 0.24268 |
| PolarSurfaceArea | 83.5 |
| Druglikeness | 0.96552 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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