1,3-dichloro-1,1,3,3-tetrafluoro-2-[(2Z)-2-hydroxyiminocyclopentyl]propan-2-ol
Formula:C8H9NO2Cl2F4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1,3-dichloro-1,1,3,3-tetrafluoro-2-[(2Z)-2-hydroxyiminocyclopentyl]propan-2-ol is a drug-like molecule.
| MolName | 1,3-dichloro-1,1,3,3-tetrafluoro-2-[(2Z)-2-hydroxyiminocyclopentyl]propan-2-ol |
| MolecularFormula | C8H9NO2Cl2F4 |
| Smiles | OC(C(CCC1)/C1=N\O)(C(F)(F)Cl)C(F)(F)Cl |
| InChI | InChI=1S/C8H9Cl2F4NO2/c9-7(11,12)6(16,8(10,13)14)4-2-1-3-5(4)15-17/h4,16-17H,1-3H2/b15-5-/t4-/m1/s1 |
| InChIK | AYBMVDLYSHZHSH-RDGFEMKISA-N |
| TotalMolweight | 298.062 |
| Molweight | 298.062 |
| MonoisotopicMass | 296.994645 |
| CLogP | 3.6367 |
| CLogS | -4.845 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 176.92 |
| Relative PSA | 0.21315 |
| PolarSurfaceArea | 52.82 |
| Druglikeness | -7.5447 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.41176 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 9 |
| Symmetricatoms | 5 |
| StereoCon | racemate |
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1 - 1,3-dichloro-1,1,3,3-tetrafluoro-2-[(2Z)-2-hydroxyiminocyclopentyl]propan-2-ol | 2 - 1,3-dichloro-1,1,3,3-tetrafluoro-2-[(2Z)-2-hydroxyiminocyclopentyl]propan-2-ol
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