2-[2-[(Z)-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
Formula:C17H13N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C17H13N4O4S |
| Smiles | [O-]C(COc1c(/C=N\NC(c2n[nH]c(-c3cccs3)c2)=O)cccc1)=O |
| InChI | InChI=1S/C17H14N4O4S/c22-16(23)10-25-14-5-2-1-4-11(14)9-18-21-17(24)13-8-12(19-20-13)15-6-3-7-26-15/h1-9H,10H2,(H,19,20)(H,21,24)(H,22,23)/p-1 |
| InChIK | CYMYCGKADAYLJJ-UHFFFAOYSA-M |
| TotalMolweight | 369.38 |
| Molweight | 369.38 |
| MonoisotopicMass | 369.065751 |
| CLogP | -0.0931 |
| CLogS | -3.81 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 280.06 |
| Relative PSA | 0.42366 |
| PolarSurfaceArea | 147.74 |
| Druglikeness | 7.4825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| 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-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
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