[3-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
Formula:C22H16N2O3BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate |
| MolecularFormula | C22H16N2O3BrF |
| Smiles | O=C(Cc(cc1)ccc1Br)N/N=C\c1cc(OC(c2cc(F)ccc2)=O)ccc1 |
| InChI | InChI=1S/C22H16BrFN2O3/c23-18-9-7-15(8-10-18)12-21(27)26-25-14-16-3-1-6-20(11-16)29-22(28)17-4-2-5-19(24)13-17/h1-11,13-14H,12H2,(H,26,27) |
| InChIK | XKJGNBCZZLVHMR-UHFFFAOYSA-N |
| TotalMolweight | 455.282 |
| Molweight | 455.282 |
| MonoisotopicMass | 454.032832 |
| CLogP | 5.4562 |
| CLogS | -6.304 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 313.24 |
| Relative PSA | 0.18851 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 0.89902 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [3-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate | 2 - [3-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
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