(E)-3-[6-(benzenesulfonyl)pyridin-3-yl]prop-2-enoic acid
Formula:C14H11NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[6-(benzenesulfonyl)pyridin-3-yl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[6-(benzenesulfonyl)pyridin-3-yl]prop-2-enoic acid |
| MolecularFormula | C14H11NO4S |
| Smiles | OC(/C=C/c(cc1)cnc1S(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C14H11NO4S/c16-14(17)9-7-11-6-8-13(15-10-11)20(18,19)12-4-2-1-3-5-12/h1-10H,(H,16,17) |
| InChIK | DLOWWRJORURNTF-UHFFFAOYSA-N |
| TotalMolweight | 289.31 |
| Molweight | 289.31 |
| MonoisotopicMass | 289.040879 |
| CLogP | 1.2756 |
| CLogS | -2.503 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 210.96 |
| Relative PSA | 0.31139 |
| PolarSurfaceArea | 92.71 |
| Druglikeness | -7.853 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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 |
Click to Load Molecule:
1 - (E)-3-[6-(benzenesulfonyl)pyridin-3-yl]prop-2-enoic acid | 2 - (E)-3-[6-(benzenesulfonyl)pyridin-3-yl]prop-2-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off