(E)-N-(2,3-dihydroxypropyl)-3-pyridin-3-ylprop-2-enamide
Formula:C11H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2,3-dihydroxypropyl)-3-pyridin-3-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2,3-dihydroxypropyl)-3-pyridin-3-ylprop-2-enamide |
| MolecularFormula | C11H14N2O3 |
| Smiles | OCC(CNC(/C=C/c1cnccc1)=O)O |
| InChI | InChI=1S/C11H14N2O3/c14-8-10(15)7-13-11(16)4-3-9-2-1-5-12-6-9/h1-6,10,14-15H,7-8H2,(H,13,16)/t10-/m0/s1 |
| InChIK | PXHKRWVXHBSJSW-JTQLQIEISA-N |
| TotalMolweight | 222.243 |
| Molweight | 222.243 |
| MonoisotopicMass | 222.100443 |
| CLogP | -0.6611 |
| CLogS | -0.86 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 180.45 |
| Relative PSA | 0.34176 |
| PolarSurfaceArea | 82.45 |
| Druglikeness | 1.677 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (E)-N-(2,3-dihydroxypropyl)-3-pyridin-3-ylprop-2-enamide | 2 - (E)-N-(2,3-dihydroxypropyl)-3-pyridin-3-ylprop-2-enamide
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