(NZ)-N-[[4-(4-fluorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine
Formula:C13H9N2O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[4-(4-fluorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[4-(4-fluorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine |
| MolecularFormula | C13H9N2O4F |
| Smiles | [O-][N+](c(cc(/C=N\O)cc1)c1Oc(cc1)ccc1F)=O |
| InChI | InChI=1S/C13H9FN2O4/c14-10-2-4-11(5-3-10)20-13-6-1-9(8-15-17)7-12(13)16(18)19/h1-8,17H |
| InChIK | XNWKLFLYESWZIP-UHFFFAOYSA-N |
| TotalMolweight | 276.222 |
| Molweight | 276.222 |
| MonoisotopicMass | 276.054636 |
| CLogP | 2.7891 |
| CLogS | -5.386 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 204.15 |
| Relative PSA | 0.31854 |
| PolarSurfaceArea | 87.64 |
| Druglikeness | -7.5172 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (NZ)-N-[[4-(4-fluorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine | 2 - (NZ)-N-[[4-(4-fluorophenoxy)-3-nitrophenyl]methylidene]hydroxylamine
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