[4-bromo-2-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Formula:C27H18N3O5BrCl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C27H18N3O5BrCl2S |
| Smiles | O=C(c(cccc1)c1NS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(cc(cc1)Br)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C27H18BrCl2N3O5S/c28-18-9-14-25(38-27(35)21-5-1-3-7-23(21)30)17(15-18)16-31-32-26(34)22-6-2-4-8-24(22)33-39(36,37)20-12-10-19(29)11-13-20/h1-16,33H,(H,32,34) |
| InChIK | DVRNGLBRXVPALC-UHFFFAOYSA-N |
| TotalMolweight | 647.332 |
| Molweight | 647.332 |
| MonoisotopicMass | 644.952757 |
| CLogP | 6.8684 |
| CLogS | -8.83 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 423.77 |
| Relative PSA | 0.23383 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | 5.5703 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-bromo-2-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate | 2 - [4-bromo-2-[(Z)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
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