N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C14H10N2O4Br2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C14H10N2O4Br2 |
| Smiles | O=C(C1Oc(cccc2)c2OC1)N/N=C\c(o1)cc(Br)c1Br |
| InChI | InChI=1S/C14H10Br2N2O4/c15-9-5-8(21-13(9)16)6-17-18-14(19)12-7-20-10-3-1-2-4-11(10)22-12/h1-6,12H,7H2,(H,18,19)/t12-/m0/s1 |
| InChIK | HXZATFHWUJOHEE-LBPRGKRZSA-N |
| TotalMolweight | 430.051 |
| Molweight | 430.051 |
| MonoisotopicMass | 427.90073 |
| CLogP | 3.4802 |
| CLogS | -4.856 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 246.7 |
| Relative PSA | 0.28423 |
| PolarSurfaceArea | 73.06 |
| Druglikeness | -0.26174 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| StereoCon | racemate |
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1 - N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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