7-[(E)-2-thiophen-2-ylethenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Formula:C13H8N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-[(E)-2-thiophen-2-ylethenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is a drug-like molecule.
| MolName | 7-[(E)-2-thiophen-2-ylethenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| MolecularFormula | C13H8N4S |
| Smiles | N#Cc1c2nccc(/C=C/c3cccs3)n2nc1 |
| InChI | InChI=1S/C13H8N4S/c14-8-10-9-16-17-11(5-6-15-13(10)17)3-4-12-2-1-7-18-12/h1-7,9H |
| InChIK | IDUFMWUHCOVRAW-UHFFFAOYSA-N |
| TotalMolweight | 252.301 |
| Molweight | 252.301 |
| MonoisotopicMass | 252.046966 |
| CLogP | 1.5255 |
| CLogS | -4.381 |
| H Acceptors | 4 |
| TotalSurfaceArea | 199.94 |
| Relative PSA | 0.31915 |
| PolarSurfaceArea | 82.22 |
| Druglikeness | 0.95516 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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