(Z)-3-(1,3-diphenylpyrazol-4-yl)-2-phenylprop-2-enenitrile
Formula:C24H17N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(Z)-3-(1,3-diphenylpyrazol-4-yl)-2-phenylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(1,3-diphenylpyrazol-4-yl)-2-phenylprop-2-enenitrile |
| MolecularFormula | C24H17N3 |
| Smiles | N#C/C(/c1ccccc1)=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C24H17N3/c25-17-21(19-10-4-1-5-11-19)16-22-18-27(23-14-8-3-9-15-23)26-24(22)20-12-6-2-7-13-20/h1-16,18H |
| InChIK | CJUAHGISAWPGPT-UHFFFAOYSA-N |
| TotalMolweight | 347.42 |
| Molweight | 347.42 |
| MonoisotopicMass | 347.142247 |
| CLogP | 4.2516 |
| CLogS | -5.142 |
| H Acceptors | 3 |
| TotalSurfaceArea | 286.92 |
| Relative PSA | 0.10944 |
| PolarSurfaceArea | 41.61 |
| Druglikeness | -1.681 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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