[4-bromo-2-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C21H14N2O5BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C21H14N2O5BrCl |
| Smiles | Oc(cc1)cc(O)c1C(N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O)=O |
| InChI | InChI=1S/C21H14BrClN2O5/c22-14-3-8-19(30-21(29)12-1-4-15(23)5-2-12)13(9-14)11-24-25-20(28)17-7-6-16(26)10-18(17)27/h1-11,26-27H,(H,25,28) |
| InChIK | OMBPLAAUEVONCG-UHFFFAOYSA-N |
| TotalMolweight | 489.708 |
| Molweight | 489.708 |
| MonoisotopicMass | 487.977461 |
| CLogP | 5.2719 |
| CLogS | -6.169 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 321.25 |
| Relative PSA | 0.26537 |
| PolarSurfaceArea | 108.22 |
| Druglikeness | 2.2544 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [4-bromo-2-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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