[(E)-3-phenylprop-2-enyl] 2,2,2-trichloroethanimidate
Formula:C11H10NOCl3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
[(E)-3-phenylprop-2-enyl] 2,2,2-trichloroethanimidate is a drug-like molecule.
| MolName | [(E)-3-phenylprop-2-enyl] 2,2,2-trichloroethanimidate |
| MolecularFormula | C11H10NOCl3 |
| Smiles | N=C(C(Cl)(Cl)Cl)OC/C=C/c1ccccc1 |
| InChI | InChI=1S/C11H10Cl3NO/c12-11(13,14)10(15)16-8-4-7-9-5-2-1-3-6-9/h1-7,15H,8H2 |
| InChIK | GLDKSYZZEFAGMD-UHFFFAOYSA-N |
| TotalMolweight | 278.565 |
| Molweight | 278.565 |
| MonoisotopicMass | 276.982795 |
| CLogP | 3.3536 |
| CLogS | -2.808 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 200.5 |
| Relative PSA | 0.12768 |
| PolarSurfaceArea | 33.08 |
| Druglikeness | -8.098 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-3-phenylprop-2-enyl] 2,2,2-trichloroethanimidate | 2 - [(E)-3-phenylprop-2-enyl] 2,2,2-trichloroethanimidate
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