2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C23H16N2O2BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C23H16N2O2BrCl |
| Smiles | O=C(Cc(c1ccccc11)ccc1Br)N/N=C\c1ccc(-c(cc2)ccc2Cl)o1 |
| InChI | InChI=1S/C23H16BrClN2O2/c24-21-11-7-16(19-3-1-2-4-20(19)21)13-23(28)27-26-14-18-10-12-22(29-18)15-5-8-17(25)9-6-15/h1-12,14H,13H2,(H,27,28) |
| InChIK | YWRINZUYKXHKBY-UHFFFAOYSA-N |
| TotalMolweight | 467.749 |
| Molweight | 467.749 |
| MonoisotopicMass | 466.008366 |
| CLogP | 6.6642 |
| CLogS | -8.322 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 318.85 |
| Relative PSA | 0.15719 |
| 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 | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-(4-bromonaphthalen-1-yl)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
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