(NE)-N-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydroxylamine
Formula:C9H8NOF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydroxylamine |
| MolecularFormula | C9H8NOF3 |
| Smiles | O/N=C(\Cc1ccccc1)/C(F)(F)F |
| InChI | InChI=1S/C9H8F3NO/c10-9(11,12)8(13-14)6-7-4-2-1-3-5-7/h1-5,14H,6H2 |
| InChIK | UKDFYZOIGYLVCH-UHFFFAOYSA-N |
| TotalMolweight | 203.163 |
| Molweight | 203.163 |
| MonoisotopicMass | 203.055798 |
| CLogP | 2.9262 |
| CLogS | -3.156 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 145.8 |
| Relative PSA | 0.16879 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -10.831 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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