(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
Formula:C10H8N2OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate is a drug-like molecule.
| MolName | (2E)-2-[(2-chloro-6-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate |
| MolecularFormula | C10H8N2OClF |
| 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 |
| InChIK | PVJRQGDVGVAEIP-UHFFFAOYSA-N |
| TotalMolweight | 226.638 |
| Molweight | 226.638 |
| MonoisotopicMass | 226.030918 |
| CLogP | -0.2587 |
| CLogS | -1.279 |
| H Acceptors | 3 |
| TotalSurfaceArea | 154.35 |
| Relative PSA | 0.1334 |
| PolarSurfaceArea | 38.43 |
| Druglikeness | -3.098 |
| 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 | 3 |
| StereoCon |
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1 - (2E)-2-[(2-chloro-6-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate | 2 - (2E)-2-[(2-chloro-6-fluorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
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