(NE)-N-[5,5-bis(trifluoromethyl)oxolan-3-ylidene]hydroxylamine
Formula:C6H5NO2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[5,5-bis(trifluoromethyl)oxolan-3-ylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[5,5-bis(trifluoromethyl)oxolan-3-ylidene]hydroxylamine |
| MolecularFormula | C6H5NO2F6 |
| Smiles | O/N=C(\C1)/COC1(C(F)(F)F)C(F)(F)F |
| InChI | InChI=1S/C6H5F6NO2/c7-5(8,9)4(6(10,11)12)1-3(13-14)2-15-4/h14H,1-2H2 |
| InChIK | HTRRXCXXRORWGE-UHFFFAOYSA-N |
| TotalMolweight | 237.099 |
| Molweight | 237.099 |
| MonoisotopicMass | 237.022447 |
| CLogP | 2.0503 |
| CLogS | -2.985 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 136.17 |
| Relative PSA | 0.25417 |
| PolarSurfaceArea | 41.82 |
| Druglikeness | -12.722 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - (NE)-N-[5,5-bis(trifluoromethyl)oxolan-3-ylidene]hydroxylamine | 2 - (NE)-N-[5,5-bis(trifluoromethyl)oxolan-3-ylidene]hydroxylamine
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