2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C23H16N3O4Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C23H16N3O4Br |
| Smiles | [O-][N+](c1cccc(-c2ccc(/C=N\NC(Cc(c3ccccc33)ccc3Br)=O)o2)c1)=O |
| InChI | InChI=1S/C23H16BrN3O4/c24-21-10-8-15(19-6-1-2-7-20(19)21)13-23(28)26-25-14-18-9-11-22(31-18)16-4-3-5-17(12-16)27(29)30/h1-12,14H,13H2,(H,26,28) |
| InChIK | GHQCMVUTXJLAJZ-UHFFFAOYSA-N |
| TotalMolweight | 478.301 |
| Molweight | 478.301 |
| MonoisotopicMass | 477.032418 |
| CLogP | 5.1366 |
| CLogS | -8.046 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 327.1 |
| Relative PSA | 0.24622 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | -0.39738 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
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