[(Z)-furan-2-ylmethylideneamino] 4-fluorobenzoate
Formula:C12H8NO3F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-furan-2-ylmethylideneamino] 4-fluorobenzoate is a drug-like molecule.
| MolName | [(Z)-furan-2-ylmethylideneamino] 4-fluorobenzoate |
| MolecularFormula | C12H8NO3F |
| Smiles | O=C(c(cc1)ccc1F)O/N=C\c1ccco1 |
| InChI | InChI=1S/C12H8FNO3/c13-10-5-3-9(4-6-10)12(15)17-14-8-11-2-1-7-16-11/h1-8H |
| InChIK | NUGIYODVHCQWOG-UHFFFAOYSA-N |
| TotalMolweight | 233.198 |
| Molweight | 233.198 |
| MonoisotopicMass | 233.048822 |
| CLogP | 3.2076 |
| CLogS | -3.767 |
| H Acceptors | 4 |
| TotalSurfaceArea | 181.57 |
| Relative PSA | 0.268 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | -4.3244 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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