4-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid
Formula:C12H15NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid is a drug-like molecule.
| MolName | 4-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid |
| MolecularFormula | C12H15NO4S |
| Smiles | OC(CCCNS(/C=C/c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C12H15NO4S/c14-12(15)7-4-9-13-18(16,17)10-8-11-5-2-1-3-6-11/h1-3,5-6,8,10,13H,4,7,9H2,(H,14,15) |
| InChIK | OATMKNVNERJQCC-UHFFFAOYSA-N |
| TotalMolweight | 269.32 |
| Molweight | 269.32 |
| MonoisotopicMass | 269.072179 |
| CLogP | 1.3497 |
| CLogS | -2.914 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 205.18 |
| Relative PSA | 0.32255 |
| PolarSurfaceArea | 91.85 |
| Druglikeness | -0.44541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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