2-hydroxy-N-[(E)-3-pyridin-4-ylprop-2-enoyl]benzamide
Formula:C15H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-N-[(E)-3-pyridin-4-ylprop-2-enoyl]benzamide is a drug-like molecule.
| MolName | 2-hydroxy-N-[(E)-3-pyridin-4-ylprop-2-enoyl]benzamide |
| MolecularFormula | C15H12N2O3 |
| Smiles | Oc(cccc1)c1C(NC(/C=C/c1ccncc1)=O)=O |
| InChI | InChI=1S/C15H12N2O3/c18-13-4-2-1-3-12(13)15(20)17-14(19)6-5-11-7-9-16-10-8-11/h1-10,18H,(H,17,19,20) |
| InChIK | JIYNPJPRJJXPGB-UHFFFAOYSA-N |
| TotalMolweight | 268.271 |
| Molweight | 268.271 |
| MonoisotopicMass | 268.084793 |
| CLogP | 1.5815 |
| CLogS | -2.352 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 211.59 |
| Relative PSA | 0.29118 |
| PolarSurfaceArea | 79.29 |
| Druglikeness | 0.30917 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-hydroxy-N-[(E)-3-pyridin-4-ylprop-2-enoyl]benzamide | 2 - 2-hydroxy-N-[(E)-3-pyridin-4-ylprop-2-enoyl]benzamide
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