(NZ)-N-[[3-nitro-4-[3-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine
Formula:C14H9N2O4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[3-nitro-4-[3-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[3-nitro-4-[3-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine |
| MolecularFormula | C14H9N2O4F3 |
| Smiles | [O-][N+](c(cc(/C=N\O)cc1)c1Oc1cccc(C(F)(F)F)c1)=O |
| InChI | InChI=1S/C14H9F3N2O4/c15-14(16,17)10-2-1-3-11(7-10)23-13-5-4-9(8-18-20)6-12(13)19(21)22/h1-8,20H |
| InChIK | RXWMVBYXOVJFBW-UHFFFAOYSA-N |
| TotalMolweight | 326.229 |
| Molweight | 326.229 |
| MonoisotopicMass | 326.051442 |
| CLogP | 3.5366 |
| CLogS | -5.85 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 227.26 |
| Relative PSA | 0.28615 |
| PolarSurfaceArea | 87.64 |
| Druglikeness | -13.367 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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