(E)-3-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]prop-2-enoic acid
Formula:C14H10NO2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]prop-2-enoic acid |
| MolecularFormula | C14H10NO2ClS |
| Smiles | OC(/C=C/c1cccnc1Sc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C14H10ClNO2S/c15-11-4-6-12(7-5-11)19-14-10(2-1-9-16-14)3-8-13(17)18/h1-9H,(H,17,18) |
| InChIK | YMZUAQVYYHUYQJ-UHFFFAOYSA-N |
| TotalMolweight | 291.757 |
| Molweight | 291.757 |
| MonoisotopicMass | 291.012076 |
| CLogP | 2.9975 |
| CLogS | -3.489 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 215.29 |
| Relative PSA | 0.25361 |
| PolarSurfaceArea | 75.49 |
| Druglikeness | 0.88557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]prop-2-enoic acid | 2 - (E)-3-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]prop-2-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off