2-[2-[(Z)-[[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C22H25N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C22H25N4O4Cl |
| Smiles | OC(COc1c(/C=N\NC(CN2CCN(Cc(cc3)ccc3Cl)CC2)=O)cccc1)=O |
| InChI | InChI=1S/C22H25ClN4O4/c23-19-7-5-17(6-8-19)14-26-9-11-27(12-10-26)15-21(28)25-24-13-18-3-1-2-4-20(18)31-16-22(29)30/h1-8,13H,9-12,14-16H2,(H,25,28)(H,29,30) |
| InChIK | WNZDKEPHQWEHDD-UHFFFAOYSA-N |
| TotalMolweight | 444.918 |
| Molweight | 444.918 |
| MonoisotopicMass | 444.156433 |
| CLogP | 0.3608 |
| CLogS | -3.095 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 339.93 |
| Relative PSA | 0.23314 |
| PolarSurfaceArea | 94.47 |
| Druglikeness | 8.9192 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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