[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]phenyl] thiophene-2-carboxylate
Formula:C19H12N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C19H12N2O2S |
| Smiles | N#C/C(/c1ncccc1)=C\c(cc1)ccc1OC(c1cccs1)=O |
| InChI | InChI=1S/C19H12N2O2S/c20-13-15(17-4-1-2-10-21-17)12-14-6-8-16(9-7-14)23-19(22)18-5-3-11-24-18/h1-12H |
| InChIK | RGUSELSZHHYJGB-UHFFFAOYSA-N |
| TotalMolweight | 332.382 |
| Molweight | 332.382 |
| MonoisotopicMass | 332.061948 |
| CLogP | 3.6828 |
| CLogS | -4.338 |
| H Acceptors | 4 |
| TotalSurfaceArea | 261.65 |
| Relative PSA | 0.25962 |
| PolarSurfaceArea | 91.22 |
| Druglikeness | -2.4142 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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