(E)-1-(3-aminophenyl)-3-pyridin-4-ylprop-2-en-1-one
Formula:C14H12N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(3-aminophenyl)-3-pyridin-4-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(3-aminophenyl)-3-pyridin-4-ylprop-2-en-1-one |
| MolecularFormula | C14H12N2O |
| Smiles | Nc1cccc(C(/C=C/c2ccncc2)=O)c1 |
| InChI | InChI=1S/C14H12N2O/c15-13-3-1-2-12(10-13)14(17)5-4-11-6-8-16-9-7-11/h1-10H,15H2 |
| InChIK | LQGFSBGVVVYAAM-UHFFFAOYSA-N |
| TotalMolweight | 224.262 |
| Molweight | 224.262 |
| MonoisotopicMass | 224.094963 |
| CLogP | 1.6256 |
| CLogS | -3.121 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 184.55 |
| Relative PSA | 0.21284 |
| PolarSurfaceArea | 55.98 |
| Druglikeness | 0.27329 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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