(Z)-3-(1H-indol-3-yl)-2-thiophen-2-ylprop-2-enoic acid
Formula:C15H11NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(1H-indol-3-yl)-2-thiophen-2-ylprop-2-enoic acid is a drug-like molecule.
| MolName | (Z)-3-(1H-indol-3-yl)-2-thiophen-2-ylprop-2-enoic acid |
| MolecularFormula | C15H11NO2S |
| Smiles | OC(/C(/c1cccs1)=C/c1c[nH]c2c1cccc2)=O |
| InChI | InChI=1S/C15H11NO2S/c17-15(18)12(14-6-3-7-19-14)8-10-9-16-13-5-2-1-4-11(10)13/h1-9,16H,(H,17,18) |
| InChIK | MXEFHZJDJRWGMY-UHFFFAOYSA-N |
| TotalMolweight | 269.323 |
| Molweight | 269.323 |
| MonoisotopicMass | 269.051049 |
| CLogP | 2.7167 |
| CLogS | -3.491 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 201.94 |
| Relative PSA | 0.29954 |
| PolarSurfaceArea | 81.33 |
| Druglikeness | 3.035 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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