N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
Formula:C23H16N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide |
| MolecularFormula | C23H16N4O6 |
| Smiles | [O-][N+](c1c(/C=N\NC(CN(c2c3cccc2)c(cccc2)c2C3=O)=O)cc2OCOc2c1)=O |
| InChI | InChI=1S/C23H16N4O6/c28-22(25-24-11-14-9-20-21(33-13-32-20)10-19(14)27(30)31)12-26-17-7-3-1-5-15(17)23(29)16-6-2-4-8-18(16)26/h1-11H,12-13H2,(H,25,28) |
| InChIK | IZNUPZKCDBXPLE-UHFFFAOYSA-N |
| TotalMolweight | 444.402 |
| Molweight | 444.402 |
| MonoisotopicMass | 444.106986 |
| CLogP | 3.4977 |
| CLogS | -7.724 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 318.99 |
| Relative PSA | 0.32296 |
| PolarSurfaceArea | 126.05 |
| Druglikeness | 0.98304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide | 2 - N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
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