(Z)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-thiophen-2-ylprop-2-enenitrile
Formula:C16H10N3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-3-thiophen-2-ylprop-2-enenitrile |
| MolecularFormula | C16H10N3FS |
| Smiles | N#C/C(/c1cc(-c(cc2)ccc2F)n[nH]1)=C\c1cccs1 |
| InChI | InChI=1S/C16H10FN3S/c17-13-5-3-11(4-6-13)15-9-16(20-19-15)12(10-18)8-14-2-1-7-21-14/h1-9H,(H,19,20) |
| InChIK | CMTLUZIDYPJDTJ-UHFFFAOYSA-N |
| TotalMolweight | 295.34 |
| Molweight | 295.34 |
| MonoisotopicMass | 295.057945 |
| CLogP | 2.9978 |
| CLogS | -4.328 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 229.82 |
| Relative PSA | 0.2562 |
| PolarSurfaceArea | 80.71 |
| Druglikeness | -2.0569 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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