[2-[(Z)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]-4,6-dibromophenyl] 3-bromobenzoate
Formula:C24H16N3O6Br3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[2-[(Z)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]-4,6-dibromophenyl] 3-bromobenzoate is not a drug-like molecule.
| MolName | [2-[(Z)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]-4,6-dibromophenyl] 3-bromobenzoate |
| MolecularFormula | C24H16N3O6Br3 |
| Smiles | O=C(CNC(c(cc1)cc2c1OCO2)=O)N/N=C\c1cc(Br)cc(Br)c1OC(c1cc(Br)ccc1)=O |
| InChI | InChI=1S/C24H16Br3N3O6/c25-16-3-1-2-14(6-16)24(33)36-22-15(7-17(26)9-18(22)27)10-29-30-21(31)11-28-23(32)13-4-5-19-20(8-13)35-12-34-19/h1-10H,11-12H2,(H,28,32)(H,30,31) |
| InChIK | JWFNLEQRUACUGI-UHFFFAOYSA-N |
| TotalMolweight | 682.118 |
| Molweight | 682.118 |
| MonoisotopicMass | 678.85892 |
| CLogP | 6.0028 |
| CLogS | -8.171 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 393.62 |
| Relative PSA | 0.26307 |
| PolarSurfaceArea | 115.32 |
| Druglikeness | 3.2348 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]-4,6-dibromophenyl] 3-bromobenzoate | 2 - [2-[(Z)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]-4,6-dibromophenyl] 3-bromobenzoate
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