2-[4-[(Z)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]acetate
Formula:C17H11NO3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[4-[(Z)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[4-[(Z)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]acetate |
| MolecularFormula | C17H11NO3F |
| Smiles | N#C/C(/c1cccc(F)c1)=C\c(cc1)ccc1OCC([O-])=O |
| InChI | InChI=1S/C17H12FNO3/c18-15-3-1-2-13(9-15)14(10-19)8-12-4-6-16(7-5-12)22-11-17(20)21/h1-9H,11H2,(H,20,21)/p-1 |
| InChIK | OPEODDCRPWASHA-UHFFFAOYSA-M |
| TotalMolweight | 296.276 |
| Molweight | 296.276 |
| MonoisotopicMass | 296.072297 |
| CLogP | 0.4174 |
| CLogS | -3.736 |
| H Acceptors | 4 |
| TotalSurfaceArea | 234.83 |
| Relative PSA | 0.21667 |
| PolarSurfaceArea | 73.15 |
| Druglikeness | -5.8299 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]acetate | 2 - 2-[4-[(Z)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]acetate
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