| MolName | 2-[2-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C18H16N3O5F |
| Smiles | OC(COc1c(/C=N\NC(CNC(c(cc2)ccc2F)=O)=O)cccc1)=O |
| InChI | InChI=1S/C18H16FN3O5/c19-14-7-5-12(6-8-14)18(26)20-10-16(23)22-21-9-13-3-1-2-4-15(13)27-11-17(24)25/h1-9H,10-11H2,(H,20,26)(H,22,23)(H,24,25) |
| InChIK | BTQCBWVHGGJAOC-UHFFFAOYSA-N |
| TotalMolweight | 373.339 |
| Molweight | 373.339 |
| MonoisotopicMass | 373.1074 |
| CLogP | 1.4461 |
| CLogS | -3.595 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 284.17 |
| Relative PSA | 0.34011 |
| PolarSurfaceArea | 117.09 |
| Druglikeness | 3.9168 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid