2-[4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C17H15N2O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C17H15N2O5Br |
| Smiles | OC(COc1ccc(/C=N\NC(COc2cccc(Br)c2)=O)cc1)=O |
| InChI | InChI=1S/C17H15BrN2O5/c18-13-2-1-3-15(8-13)24-10-16(21)20-19-9-12-4-6-14(7-5-12)25-11-17(22)23/h1-9H,10-11H2,(H,20,21)(H,22,23) |
| InChIK | WFQFTSMCNJDBAC-UHFFFAOYSA-N |
| TotalMolweight | 407.219 |
| Molweight | 407.219 |
| MonoisotopicMass | 406.016434 |
| CLogP | 2.5617 |
| CLogS | -4.128 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 277.24 |
| Relative PSA | 0.29631 |
| PolarSurfaceArea | 97.22 |
| Druglikeness | 2.407 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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