[4-bromo-2-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Formula:C28H20N2O5BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C28H20N2O5BrCl |
| Smiles | O=C(C(Oc1ccccc1)Oc1ccccc1)N/N=C\c(cc(cc1)Br)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C28H20BrClN2O5/c29-20-15-16-25(37-27(34)23-13-7-8-14-24(23)30)19(17-20)18-31-32-26(33)28(35-21-9-3-1-4-10-21)36-22-11-5-2-6-12-22/h1-18,28H,(H,32,33) |
| InChIK | JCIBFMGNDHTFNG-UHFFFAOYSA-N |
| TotalMolweight | 579.833 |
| Molweight | 579.833 |
| MonoisotopicMass | 578.024411 |
| CLogP | 6.7759 |
| CLogS | -7.812 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 400.81 |
| Relative PSA | 0.19723 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | 2.5053 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 9 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate | 2 - [4-bromo-2-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
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