N-[(Z)-2,1,3-benzoxadiazol-5-ylmethylideneamino]-4-(trifluoromethyl)benzamide
Formula:C15H9N4O2F3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,1,3-benzoxadiazol-5-ylmethylideneamino]-4-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-2,1,3-benzoxadiazol-5-ylmethylideneamino]-4-(trifluoromethyl)benzamide |
| MolecularFormula | C15H9N4O2F3 |
| Smiles | O=C(c1ccc(C(F)(F)F)cc1)N/N=C\c1cc2nonc2cc1 |
| InChI | InChI=1S/C15H9F3N4O2/c16-15(17,18)11-4-2-10(3-5-11)14(23)20-19-8-9-1-6-12-13(7-9)22-24-21-12/h1-8H,(H,20,23) |
| InChIK | YSIXVVFXGWUYNF-UHFFFAOYSA-N |
| TotalMolweight | 334.256 |
| Molweight | 334.256 |
| MonoisotopicMass | 334.06776 |
| CLogP | 4.0006 |
| CLogS | -4.138 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 238.26 |
| Relative PSA | 0.30244 |
| PolarSurfaceArea | 80.38 |
| Druglikeness | -1.4663 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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