2-[(Z)-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C22H18N3O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C22H18N3O5ClS |
| Smiles | OC(c1c(/C=N\NC(CN(c(cccc2)c2Cl)S(c2ccccc2)(=O)=O)=O)cccc1)=O |
| InChI | InChI=1S/C22H18ClN3O5S/c23-19-12-6-7-13-20(19)26(32(30,31)17-9-2-1-3-10-17)15-21(27)25-24-14-16-8-4-5-11-18(16)22(28)29/h1-14H,15H2,(H,25,27)(H,28,29) |
| InChIK | CMVVAVFXHZTPTF-UHFFFAOYSA-N |
| TotalMolweight | 471.92 |
| Molweight | 471.92 |
| MonoisotopicMass | 471.065569 |
| CLogP | 3.1419 |
| CLogS | -5.675 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 338.91 |
| Relative PSA | 0.27819 |
| PolarSurfaceArea | 124.52 |
| Druglikeness | -3.3032 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]hydrazinylidene]methyl]benzoic acid
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