(E)-3-(4-chloroanilino)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-en-1-one
Formula:C22H16NO2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chloroanilino)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(4-chloroanilino)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-en-1-one |
| MolecularFormula | C22H16NO2Cl3 |
| Smiles | O=C(/C=C/Nc(cc1)ccc1Cl)c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C22H16Cl3NO2/c23-17-5-7-19(8-6-17)26-12-11-22(27)15-2-9-20(10-3-15)28-14-16-1-4-18(24)13-21(16)25/h1-13,26H,14H2 |
| InChIK | UDFZBKMPPRVBTD-UHFFFAOYSA-N |
| TotalMolweight | 432.733 |
| Molweight | 432.733 |
| MonoisotopicMass | 431.02466 |
| CLogP | 5.6406 |
| CLogS | -7.335 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 318.51 |
| Relative PSA | 0.10832 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | 0.40124 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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