2-(1,3-benzodioxol-5-yl)-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C20H15N2O4F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(1,3-benzodioxol-5-yl)-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1,3-benzodioxol-5-yl)-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C20H15N2O4F |
| Smiles | O=C(Cc(cc1)cc2c1OCO2)N/N=C\c1ccc(-c(cc2)ccc2F)o1 |
| InChI | InChI=1S/C20H15FN2O4/c21-15-4-2-14(3-5-15)17-8-6-16(27-17)11-22-23-20(24)10-13-1-7-18-19(9-13)26-12-25-18/h1-9,11H,10,12H2,(H,23,24) |
| InChIK | CJQSYQFYGYNGPF-UHFFFAOYSA-N |
| TotalMolweight | 366.347 |
| Molweight | 366.347 |
| MonoisotopicMass | 366.101586 |
| CLogP | 4.3508 |
| CLogS | -6.171 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 276.81 |
| Relative PSA | 0.25331 |
| PolarSurfaceArea | 73.06 |
| Druglikeness | 5.0715 |
| 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 | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(1,3-benzodioxol-5-yl)-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-(1,3-benzodioxol-5-yl)-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]acetamide
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