2-[4-[(Z)-[(4-bromophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetic acid
Formula:C15H13N2O5BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[(4-bromophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-[(4-bromophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C15H13N2O5BrS |
| Smiles | OC(COc1ccc(/C=N\NS(c(cc2)ccc2Br)(=O)=O)cc1)=O |
| InChI | InChI=1S/C15H13BrN2O5S/c16-12-3-7-14(8-4-12)24(21,22)18-17-9-11-1-5-13(6-2-11)23-10-15(19)20/h1-9,18H,10H2,(H,19,20) |
| InChIK | ZFDAUTJVOSEQOM-UHFFFAOYSA-N |
| TotalMolweight | 413.247 |
| Molweight | 413.247 |
| MonoisotopicMass | 411.972854 |
| CLogP | 2.0623 |
| CLogS | -2.543 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 264.31 |
| Relative PSA | 0.33177 |
| PolarSurfaceArea | 113.44 |
| Druglikeness | 1.818 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[(4-bromophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-[(4-bromophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetic acid
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