(E)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enamide
Formula:C16H9N2OCl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enamide |
| MolecularFormula | C16H9N2OCl3S |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc1nc(ccc(Cl)c2)c2s1 |
| InChI | InChI=1S/C16H9Cl3N2OS/c17-10-3-1-9(12(19)7-10)2-6-15(22)21-16-20-13-5-4-11(18)8-14(13)23-16/h1-8H,(H,20,21,22) |
| InChIK | DDUBJGRLAMLEFM-UHFFFAOYSA-N |
| TotalMolweight | 383.685 |
| Molweight | 383.685 |
| MonoisotopicMass | 381.950114 |
| CLogP | 5.7567 |
| CLogS | -6.673 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 264.29 |
| Relative PSA | 0.21125 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 0.2305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enamide | 2 - (E)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enamide
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