N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-fluorobenzamide
Formula:C15H10N2O3BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-fluorobenzamide |
| MolecularFormula | C15H10N2O3BrF |
| Smiles | O=C(c1cc(F)ccc1)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C15H10BrFN2O3/c16-12-6-14-13(21-8-22-14)5-10(12)7-18-19-15(20)9-2-1-3-11(17)4-9/h1-7H,8H2,(H,19,20) |
| InChIK | KXUCMDPQGBPZLR-UHFFFAOYSA-N |
| TotalMolweight | 365.157 |
| Molweight | 365.157 |
| MonoisotopicMass | 363.985882 |
| CLogP | 4.139 |
| CLogS | -5.58 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 232.23 |
| Relative PSA | 0.24118 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 1.1078 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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