4-[[4-[(Z)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]methyl]benzoate
Formula:C23H15NO3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[[4-[(Z)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]methyl]benzoate is a drug-like molecule.
| MolName | 4-[[4-[(Z)-2-cyano-2-(3-fluorophenyl)ethenyl]phenoxy]methyl]benzoate |
| MolecularFormula | C23H15NO3F |
| Smiles | N#C/C(/c1cccc(F)c1)=C\c(cc1)ccc1OCc(cc1)ccc1C([O-])=O |
| InChI | InChI=1S/C23H16FNO3/c24-21-3-1-2-19(13-21)20(14-25)12-16-6-10-22(11-7-16)28-15-17-4-8-18(9-5-17)23(26)27/h1-13H,15H2,(H,26,27)/p-1 |
| InChIK | GDDOOULEUYKKGV-UHFFFAOYSA-M |
| TotalMolweight | 372.374 |
| Molweight | 372.374 |
| MonoisotopicMass | 372.103597 |
| CLogP | 2.1906 |
| CLogS | -5.297 |
| H Acceptors | 4 |
| TotalSurfaceArea | 294.59 |
| Relative PSA | 0.17271 |
| PolarSurfaceArea | 73.15 |
| Druglikeness | -6.1075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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