(E)-3-(4-aminophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
Formula:C15H12NOCl
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(E)-3-(4-aminophenyl)-1-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-aminophenyl)-1-(4-chlorophenyl)prop-2-en-1-one |
| MolecularFormula | C15H12NOCl |
| Smiles | Nc1ccc(/C=C/C(c(cc2)ccc2Cl)=O)cc1 |
| InChI | InChI=1S/C15H12ClNO/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(17)9-2-11/h1-10H,17H2 |
| InChIK | VQZFCSWNYVWDQJ-UHFFFAOYSA-N |
| TotalMolweight | 257.719 |
| Molweight | 257.719 |
| MonoisotopicMass | 257.060741 |
| CLogP | 3.2325 |
| CLogS | -4.652 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 201.21 |
| Relative PSA | 0.1407 |
| PolarSurfaceArea | 43.09 |
| Druglikeness | 0.36 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| 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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