(NE)-N-[(Z)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enylidene]hydroxylamine
Formula:C10H7NOClF3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
(NE)-N-[(Z)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[(Z)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enylidene]hydroxylamine |
| MolecularFormula | C10H7NOClF3 |
| Smiles | O/N=C/C(/c1ccccc1)=C(/C(F)(F)F)\Cl |
| InChI | InChI=1S/C10H7ClF3NO/c11-9(10(12,13)14)8(6-15-16)7-4-2-1-3-5-7/h1-6,16H |
| InChIK | ADLJYFYSDNWAMU-UHFFFAOYSA-N |
| TotalMolweight | 249.619 |
| Molweight | 249.619 |
| MonoisotopicMass | 249.016825 |
| CLogP | 3.3989 |
| CLogS | -3.767 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 172.17 |
| Relative PSA | 0.14294 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -7.1125 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (NE)-N-[(Z)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enylidene]hydroxylamine | 2 - (NE)-N-[(Z)-3-chloro-4,4,4-trifluoro-2-phenylbut-2-enylidene]hydroxylamine
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