N-[(E)-3-(3-chloroanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide
Formula:C19H14N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-(3-chloroanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-3-(3-chloroanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide |
| MolecularFormula | C19H14N3O2ClS |
| Smiles | O=C(/C(/NC(c1cccs1)=O)=C\c1cnccc1)Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C19H14ClN3O2S/c20-14-5-1-6-15(11-14)22-18(24)16(10-13-4-2-8-21-12-13)23-19(25)17-7-3-9-26-17/h1-12H,(H,22,24)(H,23,25) |
| InChIK | BTPSRSMGGVYOBI-UHFFFAOYSA-N |
| TotalMolweight | 383.858 |
| Molweight | 383.858 |
| MonoisotopicMass | 383.049524 |
| CLogP | 3.8955 |
| CLogS | -4.824 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 286.03 |
| Relative PSA | 0.28084 |
| PolarSurfaceArea | 99.33 |
| Druglikeness | 4.7048 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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