N'-hydroxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzenecarboximidamide
Formula:C14H10N3O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzenecarboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzenecarboximidamide |
| MolecularFormula | C14H10N3O4F3 |
| Smiles | N/C(/c(cc1)ccc1Oc(ccc(C(F)(F)F)c1)c1[N+]([O-])=O)=N/O |
| InChI | InChI=1S/C14H10F3N3O4/c15-14(16,17)9-3-6-12(11(7-9)20(22)23)24-10-4-1-8(2-5-10)13(18)19-21/h1-7,21H,(H2,18,19) |
| InChIK | XMMAGODKMJZYPO-UHFFFAOYSA-N |
| TotalMolweight | 341.244 |
| Molweight | 341.244 |
| MonoisotopicMass | 341.062341 |
| CLogP | 2.6906 |
| CLogS | -5.615 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 233.99 |
| Relative PSA | 0.34318 |
| PolarSurfaceArea | 113.66 |
| Druglikeness | -13.815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N'-hydroxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzenecarboximidamide | 2 - N'-hydroxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzenecarboximidamide
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