2-[(Z)-[[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C21H19N3O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C21H19N3O6S |
| Smiles | OC(c1c(/C=N\NC(CN(Cc2ccco2)S(c2ccccc2)(=O)=O)=O)cccc1)=O |
| InChI | InChI=1S/C21H19N3O6S/c25-20(23-22-13-16-7-4-5-11-19(16)21(26)27)15-24(14-17-8-6-12-30-17)31(28,29)18-9-2-1-3-10-18/h1-13H,14-15H2,(H,23,25)(H,26,27) |
| InChIK | RAFMJZIKKZUPEL-UHFFFAOYSA-N |
| TotalMolweight | 441.463 |
| Molweight | 441.463 |
| MonoisotopicMass | 441.099457 |
| CLogP | 2.157 |
| CLogS | -3.64 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 326.94 |
| Relative PSA | 0.33153 |
| PolarSurfaceArea | 137.66 |
| Druglikeness | -3.3284 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[[2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
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