5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole
Formula:C11H8N2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole is a drug-like molecule.
| MolName | 5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-pyrazole |
| MolecularFormula | C11H8N2Cl2 |
| Smiles | Clc1cccc(Cl)c1/C=C/c1ccn[nH]1 |
| InChI | InChI=1S/C11H8Cl2N2/c12-10-2-1-3-11(13)9(10)5-4-8-6-7-14-15-8/h1-7H,(H,14,15) |
| InChIK | WTLCERBYPIMJNW-UHFFFAOYSA-N |
| TotalMolweight | 239.105 |
| Molweight | 239.105 |
| MonoisotopicMass | 238.006452 |
| CLogP | 3.0262 |
| CLogS | -3.821 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 178.69 |
| Relative PSA | 0.13968 |
| PolarSurfaceArea | 28.68 |
| Druglikeness | 3.0161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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