2-[2-bromo-6-chloro-4-[(Z)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C15H17N3O5BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-bromo-6-chloro-4-[(Z)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-bromo-6-chloro-4-[(Z)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C15H17N3O5BrCl |
| Smiles | OC(COc(c(Cl)cc(/C=N\NC(CN1CCOCC1)=O)c1)c1Br)=O |
| InChI | InChI=1S/C15H17BrClN3O5/c16-11-5-10(6-12(17)15(11)25-9-14(22)23)7-18-19-13(21)8-20-1-3-24-4-2-20/h5-7H,1-4,8-9H2,(H,19,21)(H,22,23) |
| InChIK | XPDWNCFRHKGLMP-UHFFFAOYSA-N |
| TotalMolweight | 434.673 |
| Molweight | 434.673 |
| MonoisotopicMass | 433.00401 |
| CLogP | 0.485 |
| CLogS | -3.104 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 284.74 |
| Relative PSA | 0.30098 |
| PolarSurfaceArea | 100.46 |
| Druglikeness | 3.8016 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-bromo-6-chloro-4-[(Z)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-bromo-6-chloro-4-[(Z)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
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