2-[2,6-dichloro-4-[(Z)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]acetate
Formula:C17H9NO3Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[2,6-dichloro-4-[(Z)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2,6-dichloro-4-[(Z)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]acetate |
| MolecularFormula | C17H9NO3Cl2F |
| Smiles | N#C/C(/c1cc(F)ccc1)=C\c(cc1Cl)cc(Cl)c1OCC([O-])=O |
| InChI | InChI=1S/C17H10Cl2FNO3/c18-14-5-10(6-15(19)17(14)24-9-16(22)23)4-12(8-21)11-2-1-3-13(20)7-11/h1-7H,9H2,(H,22,23)/p-1 |
| InChIK | WCQDPTSYNBABLG-UHFFFAOYSA-M |
| TotalMolweight | 365.166 |
| Molweight | 365.166 |
| MonoisotopicMass | 363.994351 |
| CLogP | 1.6294 |
| CLogS | -5.208 |
| H Acceptors | 4 |
| TotalSurfaceArea | 265.67 |
| Relative PSA | 0.19152 |
| PolarSurfaceArea | 73.15 |
| Druglikeness | -5.7195 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2,6-dichloro-4-[(Z)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]acetate | 2 - 2-[2,6-dichloro-4-[(Z)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]acetate
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