(NZ)-N-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydroxylamine
Formula:C13H7NO2F6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NZ)-N-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydroxylamine |
| MolecularFormula | C13H7NO2F6 |
| Smiles | O/N=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 |
| InChI | InChI=1S/C13H7F6NO2/c14-12(15,16)8-3-7(4-9(5-8)13(17,18)19)11-2-1-10(22-11)6-20-21/h1-6,21H |
| InChIK | DDTOPKBJUZVLHL-UHFFFAOYSA-N |
| TotalMolweight | 323.192 |
| Molweight | 323.192 |
| MonoisotopicMass | 323.038097 |
| CLogP | 4.8498 |
| CLogS | -5.331 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 212.74 |
| Relative PSA | 0.18201 |
| PolarSurfaceArea | 45.73 |
| Druglikeness | -5.466 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
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