(E)-3-[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]prop-2-enoate
Formula:C13H16NO6S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-[4-[bis(2-hydroxyethyl)sulfamoyl]phenyl]prop-2-enoate |
| MolecularFormula | C13H16NO6S |
| Smiles | [O-]C(/C=C/c(cc1)ccc1S(N(CCO)CCO)(=O)=O)=O |
| InChI | InChI=1S/C13H17NO6S/c15-9-7-14(8-10-16)21(19,20)12-4-1-11(2-5-12)3-6-13(17)18/h1-6,15-16H,7-10H2,(H,17,18)/p-1 |
| InChIK | PXRHVZSLYVYUQM-UHFFFAOYSA-M |
| TotalMolweight | 314.337 |
| Molweight | 314.337 |
| MonoisotopicMass | 314.069834 |
| CLogP | -2.4243 |
| CLogS | -0.724 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 231.66 |
| Relative PSA | 0.36972 |
| PolarSurfaceArea | 126.35 |
| Druglikeness | 3.4952 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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