(E)-3-(4-formylphenyl)-2-pyridin-2-ylsulfonylprop-2-enenitrile
Formula:C15H10N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-formylphenyl)-2-pyridin-2-ylsulfonylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(4-formylphenyl)-2-pyridin-2-ylsulfonylprop-2-enenitrile |
| MolecularFormula | C15H10N2O3S |
| Smiles | N#C/C(/S(c1ncccc1)(=O)=O)=C\c1ccc(C=O)cc1 |
| InChI | InChI=1S/C15H10N2O3S/c16-10-14(9-12-4-6-13(11-18)7-5-12)21(19,20)15-3-1-2-8-17-15/h1-9,11H |
| InChIK | BIGALVJBZKRURI-UHFFFAOYSA-N |
| TotalMolweight | 298.321 |
| Molweight | 298.321 |
| MonoisotopicMass | 298.041213 |
| CLogP | 1.4393 |
| CLogS | -3.535 |
| H Acceptors | 5 |
| TotalSurfaceArea | 226.32 |
| Relative PSA | 0.29229 |
| PolarSurfaceArea | 96.27 |
| Druglikeness | -11.754 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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