[4-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
Formula:C21H14N2O3BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate |
| MolecularFormula | C21H14N2O3BrF |
| Smiles | O=C(c1cccc(Br)c1)N/N=C\c(cc1)ccc1OC(c(cccc1)c1F)=O |
| InChI | InChI=1S/C21H14BrFN2O3/c22-16-5-3-4-15(12-16)20(26)25-24-13-14-8-10-17(11-9-14)28-21(27)18-6-1-2-7-19(18)23/h1-13H,(H,25,26) |
| InChIK | RGCNPDBEVXZQDL-UHFFFAOYSA-N |
| TotalMolweight | 441.255 |
| Molweight | 441.255 |
| MonoisotopicMass | 440.017182 |
| CLogP | 5.4581 |
| CLogS | -6.339 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 299.48 |
| Relative PSA | 0.19718 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 0.86759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate | 2 - [4-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
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