(NZ)-N-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine
Formula:C12H8NO3F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NZ)-N-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine |
| MolecularFormula | C12H8NO3F3 |
| Smiles | O/N=C\c1ccc(-c(cccc2)c2OC(F)(F)F)o1 |
| InChI | InChI=1S/C12H8F3NO3/c13-12(14,15)19-11-4-2-1-3-9(11)10-6-5-8(18-10)7-16-17/h1-7,17H |
| InChIK | HVZHTVWSSHHIAX-UHFFFAOYSA-N |
| TotalMolweight | 271.194 |
| Molweight | 271.194 |
| MonoisotopicMass | 271.045628 |
| CLogP | 4.2522 |
| CLogS | -4.798 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 193.28 |
| Relative PSA | 0.25207 |
| PolarSurfaceArea | 54.96 |
| Druglikeness | -6.276 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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