2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C23H15N2O2BrCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C23H15N2O2BrCl2 |
| Smiles | O=C(Cc(c1ccccc11)ccc1Br)N/N=C\c1ccc(-c(cccc2Cl)c2Cl)o1 |
| InChI | InChI=1S/C23H15BrCl2N2O2/c24-19-10-8-14(16-4-1-2-5-17(16)19)12-22(29)28-27-13-15-9-11-21(30-15)18-6-3-7-20(25)23(18)26/h1-11,13H,12H2,(H,28,29) |
| InChIK | RIZDGWBMEYVBQL-UHFFFAOYSA-N |
| TotalMolweight | 502.194 |
| Molweight | 502.194 |
| MonoisotopicMass | 499.969393 |
| CLogP | 7.2702 |
| CLogS | -9.058 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 334.27 |
| Relative PSA | 0.14994 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 4.6974 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - 2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
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