(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile
Formula:C18H11N2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile |
| MolecularFormula | C18H11N2FS |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=C\c1ccccc1 |
| InChI | InChI=1S/C18H11FN2S/c19-16-8-6-14(7-9-16)17-12-22-18(21-17)15(11-20)10-13-4-2-1-3-5-13/h1-10,12H |
| InChIK | ORMOJXXBCIJENZ-UHFFFAOYSA-N |
| TotalMolweight | 306.363 |
| Molweight | 306.363 |
| MonoisotopicMass | 306.062696 |
| CLogP | 4.0137 |
| CLogS | -4.751 |
| H Acceptors | 2 |
| TotalSurfaceArea | 240.25 |
| Relative PSA | 0.18685 |
| PolarSurfaceArea | 64.92 |
| Druglikeness | -2.9905 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile | 2 - (E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off