2-[2-[(Z)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C19H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C19H16N4O4 |
| Smiles | OC(COc1c(/C=N\NC(c2cc(-c3ccccc3)n[nH]2)=O)cccc1)=O |
| InChI | InChI=1S/C19H16N4O4/c24-18(25)12-27-17-9-5-4-8-14(17)11-20-23-19(26)16-10-15(21-22-16)13-6-2-1-3-7-13/h1-11H,12H2,(H,21,22)(H,23,26)(H,24,25) |
| InChIK | QEKJKPYMXWACRC-UHFFFAOYSA-N |
| TotalMolweight | 364.36 |
| Molweight | 364.36 |
| MonoisotopicMass | 364.117156 |
| CLogP | 1.9594 |
| CLogS | -3.889 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 282.94 |
| Relative PSA | 0.34322 |
| PolarSurfaceArea | 116.67 |
| Druglikeness | 5.5472 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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