2-[2-[(Z)-[[2-(5-oxo-1,2-dihydropyrazol-3-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C14H14N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[2-(5-oxo-1,2-dihydropyrazol-3-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[[2-(5-oxo-1,2-dihydropyrazol-3-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C14H14N4O5 |
| Smiles | OC(COc1c(/C=N\NC(CC(NN2)=CC2=O)=O)cccc1)=O |
| InChI | InChI=1S/C14H14N4O5/c19-12(5-10-6-13(20)18-16-10)17-15-7-9-3-1-2-4-11(9)23-8-14(21)22/h1-4,6-7H,5,8H2,(H,17,19)(H,21,22)(H2,16,18,20) |
| InChIK | MOHAVHRROUGTPZ-UHFFFAOYSA-N |
| TotalMolweight | 318.288 |
| Molweight | 318.288 |
| MonoisotopicMass | 318.096421 |
| CLogP | -1.1088 |
| CLogS | -2.914 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 240.73 |
| Relative PSA | 0.44909 |
| PolarSurfaceArea | 129.12 |
| Druglikeness | 3.3939 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[2-(5-oxo-1,2-dihydropyrazol-3-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[2-(5-oxo-1,2-dihydropyrazol-3-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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