(E)-3-(3-chloroanilino)-1-(4-phenylphenyl)prop-2-en-1-one
Formula:C21H16NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-chloroanilino)-1-(4-phenylphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3-chloroanilino)-1-(4-phenylphenyl)prop-2-en-1-one |
| MolecularFormula | C21H16NOCl |
| Smiles | O=C(/C=C/Nc1cccc(Cl)c1)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C21H16ClNO/c22-19-7-4-8-20(15-19)23-14-13-21(24)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h1-15,23H |
| InChIK | RRCNGJUMUBUKKK-UHFFFAOYSA-N |
| TotalMolweight | 333.817 |
| Molweight | 333.817 |
| MonoisotopicMass | 333.092041 |
| CLogP | 4.7397 |
| CLogS | -6.608 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 263.91 |
| Relative PSA | 0.092835 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 0.65801 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| StereoCon |
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