(4Z)-4-(benzenesulfonylhydrazinylidene)-4-phenylbutanoic acid
Formula:C16H16N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-(benzenesulfonylhydrazinylidene)-4-phenylbutanoic acid is a drug-like molecule.
| MolName | (4Z)-4-(benzenesulfonylhydrazinylidene)-4-phenylbutanoic acid |
| MolecularFormula | C16H16N2O4S |
| Smiles | OC(CC/C(/c1ccccc1)=N/NS(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C16H16N2O4S/c19-16(20)12-11-15(13-7-3-1-4-8-13)17-18-23(21,22)14-9-5-2-6-10-14/h1-10,18H,11-12H2,(H,19,20) |
| InChIK | NBMDOXCNLHZSSL-UHFFFAOYSA-N |
| TotalMolweight | 332.379 |
| Molweight | 332.379 |
| MonoisotopicMass | 332.083078 |
| CLogP | 1.8475 |
| CLogS | -2.291 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 247.65 |
| Relative PSA | 0.31371 |
| PolarSurfaceArea | 104.21 |
| Druglikeness | -5.5638 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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