2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
Formula:C19H15NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid is a drug-like molecule.
| MolName | 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid |
| MolecularFormula | C19H15NO3S2 |
| Smiles | OC(C(Cc1ccccc1)N(C(/C(/S1)=C/c2ccccc2)=O)C1=S)=O |
| InChI | InChI=1S/C19H15NO3S2/c21-17-16(12-14-9-5-2-6-10-14)25-19(24)20(17)15(18(22)23)11-13-7-3-1-4-8-13/h1-10,12,15H,11H2,(H,22,23)/t15-/m0/s1 |
| InChIK | VGIFXQDHKSESDU-HNNXBMFYSA-N |
| TotalMolweight | 369.464 |
| Molweight | 369.464 |
| MonoisotopicMass | 369.049334 |
| CLogP | 2.3283 |
| CLogS | -4.426 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 272.84 |
| Relative PSA | 0.32334 |
| PolarSurfaceArea | 115 |
| Druglikeness | 1.4239 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid | 2 - 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
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