5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazole
Formula:C11H9N2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazole is a drug-like molecule.
| MolName | 5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazole |
| MolecularFormula | C11H9N2Cl |
| Smiles | Clc1ccc(/C=C/c2ccn[nH]2)cc1 |
| InChI | InChI=1S/C11H9ClN2/c12-10-4-1-9(2-5-10)3-6-11-7-8-13-14-11/h1-8H,(H,13,14) |
| InChIK | SHJXJPOMWYIJSA-UHFFFAOYSA-N |
| TotalMolweight | 204.659 |
| Molweight | 204.659 |
| MonoisotopicMass | 204.045425 |
| CLogP | 2.4202 |
| CLogS | -3.085 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 163.27 |
| Relative PSA | 0.15288 |
| PolarSurfaceArea | 28.68 |
| Druglikeness | 3.0161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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