[4-bromo-2-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C26H19N2O5Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C26H19N2O5Br |
| Smiles | OC(C(N/N=C\c(cc(cc1)Br)c1OC(c1ccco1)=O)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C26H19BrN2O5/c27-21-13-14-22(34-24(30)23-12-7-15-33-23)18(16-21)17-28-29-25(31)26(32,19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-17,32H,(H,29,31) |
| InChIK | RBNDGHNZIYULJC-UHFFFAOYSA-N |
| TotalMolweight | 519.35 |
| Molweight | 519.35 |
| MonoisotopicMass | 518.047734 |
| CLogP | 4.8263 |
| CLogS | -6.413 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 359.34 |
| Relative PSA | 0.24005 |
| PolarSurfaceArea | 101.13 |
| Druglikeness | 3.6111 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
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