N-hydroxy-N-[4-[(E)-2-phenylethenyl]phenyl]-2-(2,4,5-trichlorophenoxy)acetamide
Formula:C22H16NO3Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-hydroxy-N-[4-[(E)-2-phenylethenyl]phenyl]-2-(2,4,5-trichlorophenoxy)acetamide is not a drug-like molecule.
| MolName | N-hydroxy-N-[4-[(E)-2-phenylethenyl]phenyl]-2-(2,4,5-trichlorophenoxy)acetamide |
| MolecularFormula | C22H16NO3Cl3 |
| Smiles | ON(C(COc(c(Cl)c1)cc(Cl)c1Cl)=O)c1ccc(/C=C/c2ccccc2)cc1 |
| InChI | InChI=1S/C22H16Cl3NO3/c23-18-12-20(25)21(13-19(18)24)29-14-22(27)26(28)17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h1-13,28H,14H2 |
| InChIK | ACCZKAKVQZJZHF-UHFFFAOYSA-N |
| TotalMolweight | 448.732 |
| Molweight | 448.732 |
| MonoisotopicMass | 447.019575 |
| CLogP | 6.0828 |
| CLogS | -6.738 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 323.7 |
| Relative PSA | 0.12261 |
| PolarSurfaceArea | 49.77 |
| Druglikeness | 0.6786 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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