N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
Formula:C26H18N3O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide |
| MolecularFormula | C26H18N3O3Br |
| Smiles | O=C(CN(c1c2cccc1)c(cccc1)c1C2=O)N/N=C\c1ccc(-c(cc2)ccc2Br)o1 |
| InChI | InChI=1S/C26H18BrN3O3/c27-18-11-9-17(10-12-18)24-14-13-19(33-24)15-28-29-25(31)16-30-22-7-3-1-5-20(22)26(32)21-6-2-4-8-23(21)30/h1-15H,16H2,(H,29,31) |
| InChIK | HJIXBERULAMMIE-UHFFFAOYSA-N |
| TotalMolweight | 500.351 |
| Molweight | 500.351 |
| MonoisotopicMass | 499.053153 |
| CLogP | 5.972 |
| CLogS | -8.847 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 343.14 |
| Relative PSA | 0.19441 |
| PolarSurfaceArea | 74.91 |
| Druglikeness | 6.2966 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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