1-chloro-1,1,3,3,3-pentafluoro-2-[(2Z)-2-hydroxyiminocyclopentyl]propan-2-ol
Formula:C8H9NO2ClF5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-chloro-1,1,3,3,3-pentafluoro-2-[(2Z)-2-hydroxyiminocyclopentyl]propan-2-ol is a drug-like molecule.
| MolName | 1-chloro-1,1,3,3,3-pentafluoro-2-[(2Z)-2-hydroxyiminocyclopentyl]propan-2-ol |
| MolecularFormula | C8H9NO2ClF5 |
| Smiles | OC(C(CCC1)/C1=N\O)(C(F)(F)F)C(F)(F)Cl |
| InChI | InChI=1S/C8H9ClF5NO2/c9-7(10,11)6(16,8(12,13)14)4-2-1-3-5(4)15-17/h4,16-17H,1-3H2/b15-5- |
| InChIK | UIXUGMANNWFFKJ-WCSRMQSCSA-N |
| TotalMolweight | 281.607 |
| Molweight | 281.607 |
| MonoisotopicMass | 281.024196 |
| CLogP | 3.1554 |
| CLogS | -4.186 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 167.85 |
| Relative PSA | 0.22466 |
| PolarSurfaceArea | 52.82 |
| Druglikeness | -13.785 |
| 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 | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| StereoCon | unknown chirality |
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1 - 1-chloro-1,1,3,3,3-pentafluoro-2-[(2Z)-2-hydroxyiminocyclopentyl]propan-2-ol | 2 - 1-chloro-1,1,3,3,3-pentafluoro-2-[(2Z)-2-hydroxyiminocyclopentyl]propan-2-ol
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