4-bromo-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C18H12N2O2BrF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-bromo-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H12N2O2BrF |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\c1ccc(-c(cccc2)c2F)o1 |
| InChI | InChI=1S/C18H12BrFN2O2/c19-13-7-5-12(6-8-13)18(23)22-21-11-14-9-10-17(24-14)15-3-1-2-4-16(15)20/h1-11H,(H,22,23) |
| InChIK | CXOKZRISEGOSDH-UHFFFAOYSA-N |
| TotalMolweight | 387.207 |
| Molweight | 387.207 |
| MonoisotopicMass | 386.006617 |
| CLogP | 4.9665 |
| CLogS | -6.329 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 261.42 |
| Relative PSA | 0.19172 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 3.3383 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| StereoCon |
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