| MolName | 2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C12H10N2O4S |
| Smiles | NC(S/C1=C\c(cccc2)c2OCC(O)=O)=NC1=O |
| InChI | InChI=1S/C12H10N2O4S/c13-12-14-11(17)9(19-12)5-7-3-1-2-4-8(7)18-6-10(15)16/h1-5H,6H2,(H,15,16)(H2,13,14,17) |
| InChIK | XXUSMVFDMPUXAG-UHFFFAOYSA-N |
| TotalMolweight | 278.287 |
| Molweight | 278.287 |
| MonoisotopicMass | 278.036128 |
| CLogP | -0.001 |
| CLogS | -3.082 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 199.06 |
| Relative PSA | 0.46946 |
| PolarSurfaceArea | 127.28 |
| Druglikeness | 2.4664 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenoxy]acetic acid