(5E)-2-amino-5-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-1,3-thiazol-4-one
Formula:C17H10N2O2Cl2I2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-2-amino-5-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-1,3-thiazol-4-one is not a drug-like molecule.
| MolName | (5E)-2-amino-5-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-1,3-thiazol-4-one |
| MolecularFormula | C17H10N2O2Cl2I2S |
| Smiles | NC(S/C1=C/c2cc(I)cc(I)c2OCc(ccc(Cl)c2)c2Cl)=NC1=O |
| InChI | InChI=1S/C17H10Cl2I2N2O2S/c18-10-2-1-8(12(19)5-10)7-25-15-9(3-11(20)6-13(15)21)4-14-16(24)23-17(22)26-14/h1-6H,7H2,(H2,22,23,24) |
| InChIK | KGYHCPHTKPIDPL-UHFFFAOYSA-N |
| TotalMolweight | 631.05 |
| Molweight | 631.05 |
| MonoisotopicMass | 629.792948 |
| CLogP | 4.4323 |
| CLogS | -8.134 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 318.12 |
| Relative PSA | 0.21159 |
| PolarSurfaceArea | 89.98 |
| Druglikeness | 2.6129 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5E)-2-amino-5-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-1,3-thiazol-4-one | 2 - (5E)-2-amino-5-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-1,3-thiazol-4-one
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