(2Z)-2-[[2-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]pentanedioic acid
Formula:C16H15N3O7S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2Z)-2-[[2-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]pentanedioic acid is a drug-like molecule.
| MolName | (2Z)-2-[[2-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]pentanedioic acid |
| MolecularFormula | C16H15N3O7S2 |
| Smiles | OC(CC/C(/C(O)=O)=N/NC(c(cccc1)c1NS(c1cccs1)(=O)=O)=O)=O |
| InChI | InChI=1S/C16H15N3O7S2/c20-13(21)8-7-12(16(23)24)17-18-15(22)10-4-1-2-5-11(10)19-28(25,26)14-6-3-9-27-14/h1-6,9,19H,7-8H2,(H,18,22)(H,20,21)(H,23,24) |
| InChIK | IOPYMFLRRWXZKN-UHFFFAOYSA-N |
| TotalMolweight | 425.441 |
| Molweight | 425.441 |
| MonoisotopicMass | 425.035142 |
| CLogP | 0.6317 |
| CLogS | -3.427 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 296.9 |
| Relative PSA | 0.50081 |
| PolarSurfaceArea | 198.85 |
| Druglikeness | 3.7609 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (2Z)-2-[[2-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]pentanedioic acid | 2 - (2Z)-2-[[2-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]pentanedioic acid
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