4-[(Z)-[[2-[benzenesulfonyl(benzyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C23H21N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-[benzenesulfonyl(benzyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[[2-[benzenesulfonyl(benzyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C23H21N3O5S |
| Smiles | OC(c1ccc(/C=N\NC(CN(Cc2ccccc2)S(c2ccccc2)(=O)=O)=O)cc1)=O |
| InChI | InChI=1S/C23H21N3O5S/c27-22(25-24-15-18-11-13-20(14-12-18)23(28)29)17-26(16-19-7-3-1-4-8-19)32(30,31)21-9-5-2-6-10-21/h1-15H,16-17H2,(H,25,27)(H,28,29) |
| InChIK | VADWFBAUHIIZDI-UHFFFAOYSA-N |
| TotalMolweight | 451.502 |
| Molweight | 451.502 |
| MonoisotopicMass | 451.120192 |
| CLogP | 2.9683 |
| CLogS | -3.958 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 337.25 |
| Relative PSA | 0.27956 |
| PolarSurfaceArea | 124.52 |
| Druglikeness | -5.3339 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[[2-[benzenesulfonyl(benzyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-[benzenesulfonyl(benzyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
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