(2E)-2-[(2-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
Formula:C10H9N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(2-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate is a drug-like molecule.
| MolName | (2E)-2-[(2-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate |
| MolecularFormula | C10H9N2OCl |
| Smiles | [O-]C(CC1)=N/[N+]1=C/c(cccc1)c1Cl |
| InChI | InChI=1S/C10H9ClN2O/c11-9-4-2-1-3-8(9)7-13-6-5-10(14)12-13/h1-4,7H,5-6H2 |
| InChIK | ASFHFVPOPIEDAV-UHFFFAOYSA-N |
| TotalMolweight | 208.647 |
| Molweight | 208.647 |
| MonoisotopicMass | 208.04034 |
| CLogP | -0.3595 |
| CLogS | -0.965 |
| H Acceptors | 3 |
| TotalSurfaceArea | 148 |
| Relative PSA | 0.13912 |
| PolarSurfaceArea | 38.43 |
| Druglikeness | -1.758 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate | 2 - (2E)-2-[(2-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
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