[2-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate
Formula:C27H20N3O5BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate is not a drug-like molecule.
| MolName | [2-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate |
| MolecularFormula | C27H20N3O5BrS |
| Smiles | O=C(c(cc1)ccc1NS(c1ccccc1)(=O)=O)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C27H20BrN3O5S/c28-22-13-16-25(36-27(33)20-7-3-1-4-8-20)21(17-22)18-29-30-26(32)19-11-14-23(15-12-19)31-37(34,35)24-9-5-2-6-10-24/h1-18,31H,(H,30,32) |
| InChIK | IMZZCUNNUCUZNU-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 | -2.2861 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59459 |
| 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 | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate | 2 - [2-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate
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