(E)-3-anilino-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Formula:C18H12N3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-anilino-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-anilino-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| MolecularFormula | C18H12N3FS |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=C\Nc1ccccc1 |
| InChI | InChI=1S/C18H12FN3S/c19-15-8-6-13(7-9-15)17-12-23-18(22-17)14(10-20)11-21-16-4-2-1-3-5-16/h1-9,11-12,21H |
| InChIK | ULDSFTZSSFJPAN-UHFFFAOYSA-N |
| TotalMolweight | 321.378 |
| Molweight | 321.378 |
| MonoisotopicMass | 321.073595 |
| CLogP | 3.1844 |
| CLogS | -4.697 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 251.71 |
| Relative PSA | 0.22387 |
| PolarSurfaceArea | 76.95 |
| Druglikeness | -3.0149 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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