(E)-1-(2-aminophenyl)-3-phenylprop-2-en-1-one
Formula:C15H13NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2-aminophenyl)-3-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(2-aminophenyl)-3-phenylprop-2-en-1-one |
| MolecularFormula | C15H13NO |
| Smiles | Nc(cccc1)c1C(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C15H13NO/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11H,16H2 |
| InChIK | XKXLBHSNDSFICW-UHFFFAOYSA-N |
| TotalMolweight | 223.274 |
| Molweight | 223.274 |
| MonoisotopicMass | 223.099714 |
| CLogP | 2.6265 |
| CLogS | -3.916 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 185.79 |
| Relative PSA | 0.15238 |
| PolarSurfaceArea | 43.09 |
| Druglikeness | 0.27329 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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