5-[(E)-2-(2-fluoro-4-hydroxyanilino)ethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile
Formula:C18H12N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-(2-fluoro-4-hydroxyanilino)ethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-[(E)-2-(2-fluoro-4-hydroxyanilino)ethenyl]-3-phenyl-1,2-oxazole-4-carbonitrile |
| MolecularFormula | C18H12N3O2F |
| Smiles | N#Cc1c(/C=C/Nc(ccc(O)c2)c2F)onc1-c1ccccc1 |
| InChI | InChI=1S/C18H12FN3O2/c19-15-10-13(23)6-7-16(15)21-9-8-17-14(11-20)18(22-24-17)12-4-2-1-3-5-12/h1-10,21,23H |
| InChIK | LGEAEWHDSGDHIX-UHFFFAOYSA-N |
| TotalMolweight | 321.31 |
| Molweight | 321.31 |
| MonoisotopicMass | 321.091355 |
| CLogP | 2.8425 |
| CLogS | -5.388 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 253.6 |
| Relative PSA | 0.24921 |
| PolarSurfaceArea | 82.08 |
| Druglikeness | -4.1399 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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