N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
Formula:C18H13N2O3F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C18H13N2O3F |
| Smiles | Oc(cccc1)c1C(N/N=C\c1ccc(-c(cccc2)c2F)o1)=O |
| InChI | InChI=1S/C18H13FN2O3/c19-15-7-3-1-5-13(15)17-10-9-12(24-17)11-20-21-18(23)14-6-2-4-8-16(14)22/h1-11,22H,(H,21,23) |
| InChIK | ZPQYFQZEZWYJLA-UHFFFAOYSA-N |
| TotalMolweight | 324.31 |
| Molweight | 324.31 |
| MonoisotopicMass | 324.091021 |
| CLogP | 3.8956 |
| CLogS | -5.199 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 249.14 |
| Relative PSA | 0.25375 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 5.1142 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| 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 |
| Sp3Atoms | 1 |
| StereoCon |
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