[4-bromo-2-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Formula:C28H20N2O4BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C28H20N2O4BrCl |
| Smiles | OC(C(N/N=C\c(cc(cc1)Br)c1OC(c(cccc1)c1Cl)=O)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C28H20BrClN2O4/c29-22-15-16-25(36-26(33)23-13-7-8-14-24(23)30)19(17-22)18-31-32-27(34)28(35,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,35H,(H,32,34) |
| InChIK | QTMITAVLDLVYCA-UHFFFAOYSA-N |
| TotalMolweight | 563.834 |
| Molweight | 563.834 |
| MonoisotopicMass | 562.029496 |
| CLogP | 6.2436 |
| CLogS | -7.467 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 385.07 |
| Relative PSA | 0.18737 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 3.4077 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate | 2 - [4-bromo-2-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
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