2-[(Z)-[[2-[benzyl-(4-bromophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C23H20N3O5BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-[benzyl-(4-bromophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid is not a drug-like molecule.
| MolName | 2-[(Z)-[[2-[benzyl-(4-bromophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C23H20N3O5BrS |
| Smiles | OC(c1c(/C=N\NC(CN(Cc2ccccc2)S(c(cc2)ccc2Br)(=O)=O)=O)cccc1)=O |
| InChI | InChI=1S/C23H20BrN3O5S/c24-19-10-12-20(13-11-19)33(31,32)27(15-17-6-2-1-3-7-17)16-22(28)26-25-14-18-8-4-5-9-21(18)23(29)30/h1-14H,15-16H2,(H,26,28)(H,29,30) |
| InChIK | DOLIZNCGVFAHJT-UHFFFAOYSA-N |
| TotalMolweight | 530.398 |
| Molweight | 530.398 |
| MonoisotopicMass | 529.030703 |
| CLogP | 3.6935 |
| CLogS | -4.792 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 355.88 |
| Relative PSA | 0.26492 |
| PolarSurfaceArea | 124.52 |
| Druglikeness | 2.3663 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[[2-[benzyl-(4-bromophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[[2-[benzyl-(4-bromophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off