7-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Formula:C15H10N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is a drug-like molecule.
| MolName | 7-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| MolecularFormula | C15H10N4 |
| Smiles | N#Cc1c2nccc(/C=C/c3ccccc3)n2nc1 |
| InChI | InChI=1S/C15H10N4/c16-10-13-11-18-19-14(8-9-17-15(13)19)7-6-12-4-2-1-3-5-12/h1-9,11H |
| InChIK | ZITRGYAJUWLPBM-UHFFFAOYSA-N |
| TotalMolweight | 246.272 |
| Molweight | 246.272 |
| MonoisotopicMass | 246.090546 |
| CLogP | 1.6589 |
| CLogS | -4.371 |
| H Acceptors | 4 |
| TotalSurfaceArea | 204 |
| Relative PSA | 0.21299 |
| PolarSurfaceArea | 53.98 |
| Druglikeness | -0.45075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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