3-phenyl-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid
Formula:C17H17NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid is a drug-like molecule.
| MolName | 3-phenyl-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid |
| MolecularFormula | C17H17NO4S |
| Smiles | OC(C(Cc1ccccc1)NS(/C=C/c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C17H17NO4S/c19-17(20)16(13-15-9-5-2-6-10-15)18-23(21,22)12-11-14-7-3-1-4-8-14/h1-12,16,18H,13H2,(H,19,20)/t16-/m0/s1 |
| InChIK | JMSZFEPCPCSQMH-INIZCTEOSA-N |
| TotalMolweight | 331.391 |
| Molweight | 331.391 |
| MonoisotopicMass | 331.087829 |
| CLogP | 2.2421 |
| CLogS | -3.887 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 249.92 |
| Relative PSA | 0.2648 |
| PolarSurfaceArea | 91.85 |
| Druglikeness | -3.3557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 3-phenyl-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid | 2 - 3-phenyl-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoic acid
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