2-[2-[(Z)-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C17H14N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C17H14N4O4S |
| Smiles | OC(COc1c(/C=N\NC(c2c(-c3cccs3)[nH]nc2)=O)cccc1)=O |
| InChI | InChI=1S/C17H14N4O4S/c22-15(23)10-25-13-5-2-1-4-11(13)8-18-21-17(24)12-9-19-20-16(12)14-6-3-7-26-14/h1-9H,10H2,(H,19,20)(H,21,24)(H,22,23) |
| InChIK | HEJCHYYNGIRMOC-UHFFFAOYSA-N |
| TotalMolweight | 370.388 |
| Molweight | 370.388 |
| MonoisotopicMass | 370.073576 |
| CLogP | 1.9289 |
| CLogS | -3.786 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 278.88 |
| Relative PSA | 0.42122 |
| PolarSurfaceArea | 144.91 |
| Druglikeness | 7.0172 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
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