(NZ)-N-[[3-nitro-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]methylidene]hydroxylamine
Formula:C15H11N2O3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[3-nitro-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[3-nitro-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]methylidene]hydroxylamine |
| MolecularFormula | C15H11N2O3F3S |
| Smiles | [O-][N+](c(cc(/C=N\O)cc1)c1SCc1cc(C(F)(F)F)ccc1)=O |
| InChI | InChI=1S/C15H11F3N2O3S/c16-15(17,18)12-3-1-2-11(6-12)9-24-14-5-4-10(8-19-21)7-13(14)20(22)23/h1-8,21H,9H2 |
| InChIK | GHWFOLLFVSELTG-UHFFFAOYSA-N |
| TotalMolweight | 356.323 |
| Molweight | 356.323 |
| MonoisotopicMass | 356.044247 |
| CLogP | 4.1024 |
| CLogS | -5.982 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 248.51 |
| Relative PSA | 0.29182 |
| PolarSurfaceArea | 103.71 |
| Druglikeness | -12.602 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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