3-[5-[(Z)-2-cyano-2-(2-fluorophenyl)ethenyl]furan-2-yl]benzoate
Formula:C20H11NO3F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[5-[(Z)-2-cyano-2-(2-fluorophenyl)ethenyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 3-[5-[(Z)-2-cyano-2-(2-fluorophenyl)ethenyl]furan-2-yl]benzoate |
| MolecularFormula | C20H11NO3F |
| Smiles | N#C/C(/c(cccc1)c1F)=C\c1ccc(-c2cc(C([O-])=O)ccc2)o1 |
| InChI | InChI=1S/C20H12FNO3/c21-18-7-2-1-6-17(18)15(12-22)11-16-8-9-19(25-16)13-4-3-5-14(10-13)20(23)24/h1-11H,(H,23,24)/p-1 |
| InChIK | SYVCAHLAPJYHJT-UHFFFAOYSA-M |
| TotalMolweight | 332.309 |
| Molweight | 332.309 |
| MonoisotopicMass | 332.072297 |
| CLogP | 1.7814 |
| CLogS | -5.416 |
| H Acceptors | 4 |
| TotalSurfaceArea | 260.52 |
| Relative PSA | 0.21108 |
| PolarSurfaceArea | 77.06 |
| Druglikeness | -4.5747 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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