[2-[(Z)-[[2-(furan-2-carbonylamino)benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
Formula:C26H18N3O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[[2-(furan-2-carbonylamino)benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.
| MolName | [2-[(Z)-[[2-(furan-2-carbonylamino)benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate |
| MolecularFormula | C26H18N3O5Br |
| Smiles | O=C(c1ccco1)Nc(cccc1)c1C(N/N=C\c(cccc1)c1OC(c(cc1)ccc1Br)=O)=O |
| InChI | InChI=1S/C26H18BrN3O5/c27-19-13-11-17(12-14-19)26(33)35-22-9-4-1-6-18(22)16-28-30-24(31)20-7-2-3-8-21(20)29-25(32)23-10-5-15-34-23/h1-16H,(H,29,32)(H,30,31) |
| InChIK | KUDQGDYLTLIUOU-UHFFFAOYSA-N |
| TotalMolweight | 532.349 |
| Molweight | 532.349 |
| MonoisotopicMass | 531.042983 |
| CLogP | 5.6935 |
| CLogS | -7.219 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 371.79 |
| Relative PSA | 0.26268 |
| PolarSurfaceArea | 110 |
| Druglikeness | 2.9054 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-[[2-(furan-2-carbonylamino)benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate | 2 - [2-[(Z)-[[2-(furan-2-carbonylamino)benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
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