4-fluoro-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide
Formula:C14H11N2O2F
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-fluoro-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 4-fluoro-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide |
| MolecularFormula | C14H11N2O2F |
| Smiles | O=C(c(cc1)ccc1F)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C14H11FN2O2/c15-12-7-5-11(6-8-12)14(18)17-16-9-1-3-13-4-2-10-19-13/h1-10H,(H,17,18) |
| InChIK | VRUAPFHABKRWEI-UHFFFAOYSA-N |
| TotalMolweight | 258.251 |
| Molweight | 258.251 |
| MonoisotopicMass | 258.080456 |
| CLogP | 2.5094 |
| CLogS | -4.009 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 209.53 |
| Relative PSA | 0.2392 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 2.8234 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
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