2-(3-chlorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3-thiazolidine-4-carboxylic acid
Formula:C19H18NO2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-chlorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3-thiazolidine-4-carboxylic acid is a drug-like molecule.
| MolName | 2-(3-chlorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3-thiazolidine-4-carboxylic acid |
| MolecularFormula | C19H18NO2ClS |
| Smiles | OC(C1N(C/C=C/c2ccccc2)C(c2cccc(Cl)c2)SC1)=O |
| InChI | InChI=1S/C19H18ClNO2S/c20-16-10-4-9-15(12-16)18-21(17(13-24-18)19(22)23)11-5-8-14-6-2-1-3-7-14/h1-10,12,17-18H,11,13H2,(H,22,23) |
| InChIK | WQWFRQPZRDZCQO-UHFFFAOYSA-N |
| TotalMolweight | 359.876 |
| Molweight | 359.876 |
| MonoisotopicMass | 359.074676 |
| CLogP | 2.7311 |
| CLogS | -4.048 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 265.85 |
| Relative PSA | 0.17747 |
| PolarSurfaceArea | 65.84 |
| Druglikeness | 3.695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 2-(3-chlorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3-thiazolidine-4-carboxylic acid | 2 - 2-(3-chlorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3-thiazolidine-4-carboxylic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off