3-[(Z)-1-cyano-2-pyridin-2-ylethenyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile
Formula:C22H14N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-1-cyano-2-pyridin-2-ylethenyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile is a drug-like molecule.
| MolName | 3-[(Z)-1-cyano-2-pyridin-2-ylethenyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonitrile |
| MolecularFormula | C22H14N6 |
| Smiles | N#C/C(/c(c(C#N)c1-n2cccc2)nn1-c1ccccc1)=C\c1ncccc1 |
| InChI | InChI=1S/C22H14N6/c23-15-17(14-18-8-4-5-11-25-18)21-20(16-24)22(27-12-6-7-13-27)28(26-21)19-9-2-1-3-10-19/h1-14H |
| InChIK | HYZUKIVKBRDPRG-UHFFFAOYSA-N |
| TotalMolweight | 362.395 |
| Molweight | 362.395 |
| MonoisotopicMass | 362.127994 |
| CLogP | 3.069 |
| CLogS | -4.818 |
| H Acceptors | 6 |
| TotalSurfaceArea | 296.59 |
| Relative PSA | 0.21174 |
| PolarSurfaceArea | 83.22 |
| Druglikeness | -0.96578 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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