(3Z)-3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoro-3-[(4-fluorophenyl)hydrazinylidene]propan-2-one
Formula:C16H9N3O2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoro-3-[(4-fluorophenyl)hydrazinylidene]propan-2-one is a drug-like molecule.
| MolName | (3Z)-3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoro-3-[(4-fluorophenyl)hydrazinylidene]propan-2-one |
| MolecularFormula | C16H9N3O2F4 |
| Smiles | O=C(C(F)(F)F)/C(/c1nc(cccc2)c2o1)=N\Nc(cc1)ccc1F |
| InChI | InChI=1S/C16H9F4N3O2/c17-9-5-7-10(8-6-9)22-23-13(14(24)16(18,19)20)15-21-11-3-1-2-4-12(11)25-15/h1-8,22H |
| InChIK | QFVMKWZXXLQEQB-UHFFFAOYSA-N |
| TotalMolweight | 351.258 |
| Molweight | 351.258 |
| MonoisotopicMass | 351.063089 |
| CLogP | 4.6666 |
| CLogS | -4.614 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 244.06 |
| Relative PSA | 0.25031 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | -30.991 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (3Z)-3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoro-3-[(4-fluorophenyl)hydrazinylidene]propan-2-one | 2 - (3Z)-3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoro-3-[(4-fluorophenyl)hydrazinylidene]propan-2-one
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