(E)-3-(4-fluorophenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Formula:C18H10N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-fluorophenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(4-fluorophenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| MolecularFormula | C18H10N3O2FS |
| Smiles | N#C/C(/c1nc(-c(cc2)ccc2[N+]([O-])=O)cs1)=C\c(cc1)ccc1F |
| InChI | InChI=1S/C18H10FN3O2S/c19-15-5-1-12(2-6-15)9-14(10-20)18-21-17(11-25-18)13-3-7-16(8-4-13)22(23)24/h1-9,11H |
| InChIK | LOKCWAWFHVUXDF-UHFFFAOYSA-N |
| TotalMolweight | 351.36 |
| Molweight | 351.36 |
| MonoisotopicMass | 351.047775 |
| CLogP | 3.0921 |
| CLogS | -5.211 |
| H Acceptors | 5 |
| TotalSurfaceArea | 263.92 |
| Relative PSA | 0.28535 |
| PolarSurfaceArea | 110.74 |
| Druglikeness | -8.1395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-3-(4-fluorophenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-(4-fluorophenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
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