[4-bromo-2-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
Formula:C23H16N2O5BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C23H16N2O5BrCl |
| Smiles | O=C(C1Oc(cccc2)c2OC1)N/N=C\c(cc(cc1)Br)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C23H16BrClN2O5/c24-15-9-10-18(32-23(29)16-5-1-2-6-17(16)25)14(11-15)12-26-27-22(28)21-13-30-19-7-3-4-8-20(19)31-21/h1-12,21H,13H2,(H,27,28)/t21-/m0/s1 |
| InChIK | PHNBASMAUTUICI-NRFANRHFSA-N |
| TotalMolweight | 515.746 |
| Molweight | 515.746 |
| MonoisotopicMass | 513.993111 |
| CLogP | 5.5054 |
| CLogS | -6.783 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 341.31 |
| Relative PSA | 0.23161 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | 2.9435 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| StereoCon | racemate |
Click to Load Molecule:
1 - [4-bromo-2-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate | 2 - [4-bromo-2-[(Z)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
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