(1E)-1-[(2-chloro-6-fluorophenyl)methylidene]pyrazolidin-1-ium-3-one
Formula:C10H9N2OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E)-1-[(2-chloro-6-fluorophenyl)methylidene]pyrazolidin-1-ium-3-one is a drug-like molecule.
| MolName | (1E)-1-[(2-chloro-6-fluorophenyl)methylidene]pyrazolidin-1-ium-3-one |
| MolecularFormula | C10H9N2OClF |
| Smiles | O=C(CC1)N/[N+]1=C/c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C10H8ClFN2O/c11-8-2-1-3-9(12)7(8)6-14-5-4-10(15)13-14/h1-3,6H,4-5H2/p+1 |
| InChIK | PVJRQGDVGVAEIP-UHFFFAOYSA-O |
| TotalMolweight | 227.645 |
| Molweight | 227.645 |
| MonoisotopicMass | 227.038743 |
| CLogP | 0.6317 |
| CLogS | -1.179 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 153.06 |
| Relative PSA | 0.12609 |
| PolarSurfaceArea | 32.11 |
| Druglikeness | -1.54 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| StereoCon |
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