(E)-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
Formula:C16H11NOCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile |
| MolecularFormula | C16H11NOCl2 |
| Smiles | N#C/C=C/c(cccc1)c1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H11Cl2NO/c17-14-8-7-13(15(18)10-14)11-20-16-6-2-1-4-12(16)5-3-9-19/h1-8,10H,11H2 |
| InChIK | HVVJTDVWBWLIFG-UHFFFAOYSA-N |
| TotalMolweight | 304.175 |
| Molweight | 304.175 |
| MonoisotopicMass | 303.021768 |
| CLogP | 4.5559 |
| CLogS | -5.485 |
| H Acceptors | 2 |
| TotalSurfaceArea | 235.83 |
| Relative PSA | 0.099902 |
| PolarSurfaceArea | 33.02 |
| Druglikeness | -5.7962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - (E)-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile | 2 - (E)-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
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