(E)-N-hydroxy-3-quinolin-3-ylprop-2-enamide
Formula:C12H10N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-hydroxy-3-quinolin-3-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-hydroxy-3-quinolin-3-ylprop-2-enamide |
| MolecularFormula | C12H10N2O2 |
| Smiles | ONC(/C=C/c1cc2ccccc2nc1)=O |
| InChI | InChI=1S/C12H10N2O2/c15-12(14-16)6-5-9-7-10-3-1-2-4-11(10)13-8-9/h1-8,16H,(H,14,15) |
| InChIK | BZEOWBGHBQKFDU-UHFFFAOYSA-N |
| TotalMolweight | 214.223 |
| Molweight | 214.223 |
| MonoisotopicMass | 214.074228 |
| CLogP | 1.2755 |
| CLogS | -2.98 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 168.68 |
| Relative PSA | 0.28794 |
| PolarSurfaceArea | 62.22 |
| Druglikeness | -1.08 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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