(5Z)-2-amino-5-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one
Formula:C17H12N2O2I2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-2-amino-5-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one is not a drug-like molecule.
| MolName | (5Z)-2-amino-5-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one |
| MolecularFormula | C17H12N2O2I2S |
| Smiles | NC(S/C1=C\c2cc(I)cc(I)c2OCc2ccccc2)=NC1=O |
| InChI | InChI=1S/C17H12I2N2O2S/c18-12-6-11(7-14-16(22)21-17(20)24-14)15(13(19)8-12)23-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,20,21,22) |
| InChIK | JQVSVUNCGBRTJH-UHFFFAOYSA-N |
| TotalMolweight | 562.16 |
| Molweight | 562.16 |
| MonoisotopicMass | 561.870894 |
| CLogP | 3.2203 |
| CLogS | -6.662 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 287.28 |
| Relative PSA | 0.2343 |
| PolarSurfaceArea | 89.98 |
| Druglikeness | 2.5427 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-2-amino-5-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one | 2 - (5Z)-2-amino-5-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one
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