(E)-2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enamide
Formula:C16H11N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)prop-2-enamide |
| MolecularFormula | C16H11N2OClS |
| Smiles | NC(/C(/c1nc(cccc2)c2s1)=C\c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C16H11ClN2OS/c17-11-7-5-10(6-8-11)9-12(15(18)20)16-19-13-3-1-2-4-14(13)21-16/h1-9H,(H2,18,20) |
| InChIK | AYDHEKSZXZXOSZ-UHFFFAOYSA-N |
| TotalMolweight | 314.795 |
| Molweight | 314.795 |
| MonoisotopicMass | 314.02806 |
| CLogP | 3.0261 |
| CLogS | -4.032 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 228.72 |
| Relative PSA | 0.26076 |
| PolarSurfaceArea | 84.22 |
| Druglikeness | 2.8594 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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