[2,4-dibromo-6-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Formula:C23H15N3O4Br3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2,4-dibromo-6-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.
| MolName | [2,4-dibromo-6-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate |
| MolecularFormula | C23H15N3O4Br3F |
| Smiles | O=C(CNC(c1cc(F)ccc1)=O)N/N=C\c1cc(Br)cc(Br)c1OC(c1cc(Br)ccc1)=O |
| InChI | InChI=1S/C23H15Br3FN3O4/c24-16-5-1-4-14(7-16)23(33)34-21-15(8-17(25)10-19(21)26)11-29-30-20(31)12-28-22(32)13-3-2-6-18(27)9-13/h1-11H,12H2,(H,28,32)(H,30,31) |
| InChIK | AEHVTSDSNMXZJG-UHFFFAOYSA-N |
| TotalMolweight | 656.099 |
| Molweight | 656.099 |
| MonoisotopicMass | 652.859668 |
| CLogP | 5.9922 |
| CLogS | -7.774 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 379.71 |
| Relative PSA | 0.22004 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 1.9231 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - [2,4-dibromo-6-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate | 2 - [2,4-dibromo-6-[(Z)-[[2-[(3-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
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