(E)-3-[4-(carboxymethylsulfamoyl)phenyl]prop-2-enoic acid
Formula:C11H11NO6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-(carboxymethylsulfamoyl)phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[4-(carboxymethylsulfamoyl)phenyl]prop-2-enoic acid |
| MolecularFormula | C11H11NO6S |
| Smiles | OC(CNS(c1ccc(/C=C/C(O)=O)cc1)(=O)=O)=O |
| InChI | InChI=1S/C11H11NO6S/c13-10(14)6-3-8-1-4-9(5-2-8)19(17,18)12-7-11(15)16/h1-6,12H,7H2,(H,13,14)(H,15,16) |
| InChIK | LPNDEDYALRYUJN-UHFFFAOYSA-N |
| TotalMolweight | 285.275 |
| Molweight | 285.275 |
| MonoisotopicMass | 285.030709 |
| CLogP | -0.2707 |
| CLogS | -1.327 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 201.76 |
| Relative PSA | 0.45757 |
| PolarSurfaceArea | 129.15 |
| Druglikeness | 1.5427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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