2-[4-bromo-2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C16H12N2O4BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[4-bromo-2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-bromo-2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C16H12N2O4BrCl |
| Smiles | OC(COc(cc1)c(/C=N\NC(c(cc2)ccc2Cl)=O)cc1Br)=O |
| InChI | InChI=1S/C16H12BrClN2O4/c17-12-3-6-14(24-9-15(21)22)11(7-12)8-19-20-16(23)10-1-4-13(18)5-2-10/h1-8H,9H2,(H,20,23)(H,21,22) |
| InChIK | GALJSZPXYRKZGC-UHFFFAOYSA-N |
| TotalMolweight | 411.638 |
| Molweight | 411.638 |
| MonoisotopicMass | 409.966896 |
| CLogP | 3.5928 |
| CLogS | -5.084 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 268.9 |
| Relative PSA | 0.26832 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 2.4552 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-bromo-2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-bromo-2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
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