[(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] 1,2-oxazole-5-carboxylate
Formula:C12H8N3O3F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] 1,2-oxazole-5-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] 1,2-oxazole-5-carboxylate |
| MolecularFormula | C12H8N3O3F3 |
| Smiles | N/C(/c1ccc(C(F)(F)F)cc1)=N/OC(c1ccno1)=O |
| InChI | InChI=1S/C12H8F3N3O3/c13-12(14,15)8-3-1-7(2-4-8)10(16)18-21-11(19)9-5-6-17-20-9/h1-6H,(H2,16,18) |
| InChIK | WHQQUUVIHQOHHD-UHFFFAOYSA-N |
| TotalMolweight | 299.208 |
| Molweight | 299.208 |
| MonoisotopicMass | 299.051776 |
| CLogP | 2.3847 |
| CLogS | -3.435 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 210.17 |
| Relative PSA | 0.35638 |
| PolarSurfaceArea | 90.71 |
| Druglikeness | -8.7564 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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