(E)-3-[6-(benzenesulfonyl)-5-chloropyridin-3-yl]prop-2-enoic acid
Formula:C14H10NO4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[6-(benzenesulfonyl)-5-chloropyridin-3-yl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[6-(benzenesulfonyl)-5-chloropyridin-3-yl]prop-2-enoic acid |
| MolecularFormula | C14H10NO4ClS |
| Smiles | OC(/C=C/c(cn1)cc(Cl)c1S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C14H10ClNO4S/c15-12-8-10(6-7-13(17)18)9-16-14(12)21(19,20)11-4-2-1-3-5-11/h1-9H,(H,17,18) |
| InChIK | NAXFSRYVXVOZDF-UHFFFAOYSA-N |
| TotalMolweight | 323.755 |
| Molweight | 323.755 |
| MonoisotopicMass | 323.001906 |
| CLogP | 1.8816 |
| CLogS | -3.239 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 226.38 |
| Relative PSA | 0.29018 |
| PolarSurfaceArea | 92.71 |
| Druglikeness | -7.7495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| 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 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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