N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
Formula:C23H16N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide |
| MolecularFormula | C23H16N3O4Br |
| Smiles | O=C(CN(c1c2cccc1)c(cccc1)c1C2=O)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C23H16BrN3O4/c24-17-10-21-20(30-13-31-21)9-14(17)11-25-26-22(28)12-27-18-7-3-1-5-15(18)23(29)16-6-2-4-8-19(16)27/h1-11H,12-13H2,(H,26,28) |
| InChIK | BGWQGPWUOGHONE-UHFFFAOYSA-N |
| TotalMolweight | 478.301 |
| Molweight | 478.301 |
| MonoisotopicMass | 477.032418 |
| CLogP | 5.1445 |
| CLogS | -8.098 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 313.95 |
| Relative PSA | 0.23125 |
| PolarSurfaceArea | 80.23 |
| Druglikeness | 4.3004 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide | 2 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
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