[4-[(Z)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
Formula:C21H16N3O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate |
| MolecularFormula | C21H16N3O5Br |
| Smiles | O=C(CNC(c1ccco1)=O)N/N=C\c(cc1)ccc1OC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C21H16BrN3O5/c22-16-7-5-15(6-8-16)21(28)30-17-9-3-14(4-10-17)12-24-25-19(26)13-23-20(27)18-2-1-11-29-18/h1-12H,13H2,(H,23,27)(H,25,26) |
| InChIK | JZQFZNCGYSGLJC-UHFFFAOYSA-N |
| TotalMolweight | 470.278 |
| Molweight | 470.278 |
| MonoisotopicMass | 469.027333 |
| CLogP | 3.6297 |
| CLogS | -5.474 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 325.79 |
| Relative PSA | 0.29976 |
| PolarSurfaceArea | 110 |
| Druglikeness | 3.5254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate | 2 - [4-[(Z)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
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