(E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enamide
Formula:C16H10N2OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-(1,3-benzothiazol-2-yl)-3-(2,6-dichlorophenyl)prop-2-enamide |
| MolecularFormula | C16H10N2OCl2S |
| Smiles | NC(/C(/c1nc(cccc2)c2s1)=C\c(c(Cl)ccc1)c1Cl)=O |
| InChI | InChI=1S/C16H10Cl2N2OS/c17-11-4-3-5-12(18)9(11)8-10(15(19)21)16-20-13-6-1-2-7-14(13)22-16/h1-8H,(H2,19,21) |
| InChIK | VTMCTVDCSCMBSS-UHFFFAOYSA-N |
| TotalMolweight | 349.24 |
| Molweight | 349.24 |
| MonoisotopicMass | 347.989087 |
| CLogP | 3.6321 |
| CLogS | -4.768 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 244.14 |
| Relative PSA | 0.24429 |
| PolarSurfaceArea | 84.22 |
| Druglikeness | 2.8594 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| 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 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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