(2-cyanophenyl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate
Formula:C17H12NO2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2-cyanophenyl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate is a drug-like molecule.
| MolName | (2-cyanophenyl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate |
| MolecularFormula | C17H12NO2F |
| Smiles | N#Cc1c(COC(/C=C/c(cc2)ccc2F)=O)cccc1 |
| InChI | InChI=1S/C17H12FNO2/c18-16-8-5-13(6-9-16)7-10-17(20)21-12-15-4-2-1-3-14(15)11-19/h1-10H,12H2 |
| InChIK | TTYBGPODRBADLH-UHFFFAOYSA-N |
| TotalMolweight | 281.285 |
| Molweight | 281.285 |
| MonoisotopicMass | 281.085207 |
| CLogP | 3.2563 |
| CLogS | -4.537 |
| H Acceptors | 3 |
| TotalSurfaceArea | 229.09 |
| Relative PSA | 0.15976 |
| PolarSurfaceArea | 50.09 |
| Druglikeness | -8.6277 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (2-cyanophenyl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate | 2 - (2-cyanophenyl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate
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