(E)-3-[5-[(E)-2-carboxyethenyl]thiophen-2-yl]prop-2-enoic acid
Formula:C10H8O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[5-[(E)-2-carboxyethenyl]thiophen-2-yl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[5-[(E)-2-carboxyethenyl]thiophen-2-yl]prop-2-enoic acid |
| MolecularFormula | C10H8O4S |
| Smiles | OC(/C=C/c1ccc(/C=C/C(O)=O)s1)=O |
| InChI | InChI=1S/C10H8O4S/c11-9(12)5-3-7-1-2-8(15-7)4-6-10(13)14/h1-6H,(H,11,12)(H,13,14) |
| InChIK | FHZOVGZTZSYHJD-UHFFFAOYSA-N |
| TotalMolweight | 224.236 |
| Molweight | 224.236 |
| MonoisotopicMass | 224.01433 |
| CLogP | 1.237 |
| CLogS | -2.502 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 170.4 |
| Relative PSA | 0.42629 |
| PolarSurfaceArea | 102.84 |
| Druglikeness | 1.9169 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| AcidicOxygens | 2 |
| StereoCon |
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