(E)-2-(benzenesulfonyl)-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
Formula:C18H13N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(benzenesulfonyl)-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(benzenesulfonyl)-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile |
| MolecularFormula | C18H13N3O2S |
| Smiles | N#C/C(/S(c1ccccc1)(=O)=O)=C\c1c(-c2ccccc2)[nH]nc1 |
| InChI | InChI=1S/C18H13N3O2S/c19-12-17(24(22,23)16-9-5-2-6-10-16)11-15-13-20-21-18(15)14-7-3-1-4-8-14/h1-11,13H,(H,20,21) |
| InChIK | INPBEHSPAQVCGH-UHFFFAOYSA-N |
| TotalMolweight | 335.386 |
| Molweight | 335.386 |
| MonoisotopicMass | 335.072847 |
| CLogP | 2.0533 |
| CLogS | -4.594 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 256.11 |
| Relative PSA | 0.262 |
| PolarSurfaceArea | 94.99 |
| Druglikeness | -9.318 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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