[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] 4-fluorobenzoate
Formula:C15H12NO3F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] 4-fluorobenzoate is a drug-like molecule.
| MolName | [(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino] 4-fluorobenzoate |
| MolecularFormula | C15H12NO3F |
| Smiles | O=C(c(cc1)ccc1F)O/N=C(/CCC1)\c2c1occ2 |
| InChI | InChI=1S/C15H12FNO3/c16-11-6-4-10(5-7-11)15(18)20-17-13-2-1-3-14-12(13)8-9-19-14/h4-9H,1-3H2 |
| InChIK | FBJFPAFRLYRXIX-UHFFFAOYSA-N |
| TotalMolweight | 273.262 |
| Molweight | 273.262 |
| MonoisotopicMass | 273.080122 |
| CLogP | 3.8803 |
| CLogS | -4.716 |
| H Acceptors | 4 |
| TotalSurfaceArea | 207.56 |
| Relative PSA | 0.23444 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | -6.2408 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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