[4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
Formula:C27H20N3O5BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate |
| MolecularFormula | C27H20N3O5BrS |
| Smiles | O=C(c(cc1)ccc1NS(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1OC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C27H20BrN3O5S/c28-22-12-8-21(9-13-22)27(33)36-24-16-6-19(7-17-24)18-29-30-26(32)20-10-14-23(15-11-20)31-37(34,35)25-4-2-1-3-5-25/h1-18,31H,(H,30,32) |
| InChIK | RJOJBEVYMRDXIE-UHFFFAOYSA-N |
| TotalMolweight | 578.442 |
| Molweight | 578.442 |
| MonoisotopicMass | 577.030703 |
| CLogP | 5.6564 |
| CLogS | -7.358 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 392.93 |
| Relative PSA | 0.25218 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | -3.6782 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67568 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 9 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate | 2 - [4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
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