(E)-3-(4-aminophenyl)-1-phenylprop-2-en-1-one
Formula:C15H13NO
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(E)-3-(4-aminophenyl)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-aminophenyl)-1-phenylprop-2-en-1-one |
| MolecularFormula | C15H13NO |
| Smiles | Nc1ccc(/C=C/C(c2ccccc2)=O)cc1 |
| InChI | InChI=1S/C15H13NO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H,16H2 |
| InChIK | ODCATTUUPYWMMI-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 | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| 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 | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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