2-[2,6-diiodo-4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
Formula:C14H10N2O4I2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2,6-diiodo-4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid is not a drug-like molecule.
| MolName | 2-[2,6-diiodo-4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C14H10N2O4I2S |
| Smiles | OC(COc(c(I)cc(/C=N\NC(c1cccs1)=O)c1)c1I)=O |
| InChI | InChI=1S/C14H10I2N2O4S/c15-9-4-8(5-10(16)13(9)22-7-12(19)20)6-17-18-14(21)11-2-1-3-23-11/h1-6H,7H2,(H,18,21)(H,19,20) |
| InChIK | XWJDLRNYLLNKPU-UHFFFAOYSA-N |
| TotalMolweight | 556.109 |
| Molweight | 556.109 |
| MonoisotopicMass | 555.845074 |
| CLogP | 3.0024 |
| CLogS | -5.556 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 283.35 |
| Relative PSA | 0.32649 |
| PolarSurfaceArea | 116.23 |
| Druglikeness | 6.5275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2,6-diiodo-4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid | 2 - 2-[2,6-diiodo-4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
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