(E)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)prop-2-enamide
Formula:C16H10N2OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)prop-2-enamide |
| MolecularFormula | C16H10N2OCl2S |
| Smiles | O=C(/C=C/c1cccc(Cl)c1)Nc1nc(ccc(Cl)c2)c2s1 |
| InChI | InChI=1S/C16H10Cl2N2OS/c17-11-3-1-2-10(8-11)4-7-15(21)20-16-19-13-6-5-12(18)9-14(13)22-16/h1-9H,(H,19,20,21) |
| InChIK | JLSNWRNQMJFGHR-UHFFFAOYSA-N |
| TotalMolweight | 349.24 |
| Molweight | 349.24 |
| MonoisotopicMass | 347.989087 |
| CLogP | 5.1507 |
| CLogS | -5.937 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 248.87 |
| Relative PSA | 0.22433 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 0.2305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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