[2-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C22H18N3O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is a drug-like molecule.
| MolName | [2-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C22H18N3O5ClS |
| Smiles | O=C(CNS(c1ccccc1)(=O)=O)N/N=C\c(cccc1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C22H18ClN3O5S/c23-18-12-10-16(11-13-18)22(28)31-20-9-5-4-6-17(20)14-24-26-21(27)15-25-32(29,30)19-7-2-1-3-8-19/h1-14,25H,15H2,(H,26,27) |
| InChIK | IMYKVDYCYXFVEW-UHFFFAOYSA-N |
| TotalMolweight | 471.92 |
| Molweight | 471.92 |
| MonoisotopicMass | 471.065569 |
| CLogP | 4.0084 |
| CLogS | -5.242 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 343.72 |
| Relative PSA | 0.28829 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | 1.1977 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [2-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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