(E)-3-[4-(pyridin-3-ylsulfamoyl)phenyl]prop-2-enoate
Formula:C14H11N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-(pyridin-3-ylsulfamoyl)phenyl]prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-[4-(pyridin-3-ylsulfamoyl)phenyl]prop-2-enoate |
| MolecularFormula | C14H11N2O4S |
| Smiles | [O-]C(/C=C/c(cc1)ccc1S(Nc1cnccc1)(=O)=O)=O |
| InChI | InChI=1S/C14H12N2O4S/c17-14(18)8-5-11-3-6-13(7-4-11)21(19,20)16-12-2-1-9-15-10-12/h1-10,16H,(H,17,18)/p-1 |
| InChIK | BMLYDGYFMYOZSJ-UHFFFAOYSA-M |
| TotalMolweight | 303.317 |
| Molweight | 303.317 |
| MonoisotopicMass | 303.043953 |
| CLogP | -1.3039 |
| CLogS | -2.537 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 223.6 |
| Relative PSA | 0.35031 |
| PolarSurfaceArea | 107.57 |
| Druglikeness | 2.6541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-3-[4-(pyridin-3-ylsulfamoyl)phenyl]prop-2-enoate | 2 - (E)-3-[4-(pyridin-3-ylsulfamoyl)phenyl]prop-2-enoate
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