(E)-3-(2-chlorophenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)prop-2-enamide
Formula:C16H10N2OClFS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)prop-2-enamide |
| MolecularFormula | C16H10N2OClFS |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)Nc1nc(ccc(F)c2)c2s1 |
| InChI | InChI=1S/C16H10ClFN2OS/c17-12-4-2-1-3-10(12)5-8-15(21)20-16-19-13-7-6-11(18)9-14(13)22-16/h1-9H,(H,19,20,21) |
| InChIK | GJIFXXXHUDNRGD-UHFFFAOYSA-N |
| TotalMolweight | 332.785 |
| Molweight | 332.785 |
| MonoisotopicMass | 332.018638 |
| CLogP | 4.6455 |
| CLogS | -5.515 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 239.8 |
| Relative PSA | 0.23282 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | -1.1095 |
| Mutagenic | none |
| Tumorigenic | high |
| 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 |
Click to Load Molecule:
1 - (E)-3-(2-chlorophenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)prop-2-enamide | 2 - (E)-3-(2-chlorophenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off