2-[4-[(Z)-[(1,3-diphenylpyrazole-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C25H20N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[(1,3-diphenylpyrazole-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-[(1,3-diphenylpyrazole-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C25H20N4O4 |
| Smiles | OC(COc1ccc(/C=N\NC(c2cn(-c3ccccc3)nc2-c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C25H20N4O4/c30-23(31)17-33-21-13-11-18(12-14-21)15-26-27-25(32)22-16-29(20-9-5-2-6-10-20)28-24(22)19-7-3-1-4-8-19/h1-16H,17H2,(H,27,32)(H,30,31) |
| InChIK | IPGXCCOUKXJJBH-UHFFFAOYSA-N |
| TotalMolweight | 440.458 |
| Molweight | 440.458 |
| MonoisotopicMass | 440.148456 |
| CLogP | 3.1806 |
| CLogS | -5.027 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 342.33 |
| Relative PSA | 0.26288 |
| PolarSurfaceArea | 105.81 |
| Druglikeness | 6.3164 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[(1,3-diphenylpyrazole-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-[(1,3-diphenylpyrazole-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
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