2-[2-[(Z)-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylhydrazinylidene)methyl]phenoxy]acetate
Formula:C17H17N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylhydrazinylidene)methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylhydrazinylidene)methyl]phenoxy]acetate |
| MolecularFormula | C17H17N4O4 |
| Smiles | [O-]C(COc1c(/C=N\NC(c2n[nH]c3c2CCCC3)=O)cccc1)=O |
| InChI | InChI=1S/C17H18N4O4/c22-15(23)10-25-14-8-4-1-5-11(14)9-18-21-17(24)16-12-6-2-3-7-13(12)19-20-16/h1,4-5,8-9H,2-3,6-7,10H2,(H,19,20)(H,21,24)(H,22,23)/p-1 |
| InChIK | JMIIHEWYCOMVMO-UHFFFAOYSA-M |
| TotalMolweight | 341.346 |
| Molweight | 341.346 |
| MonoisotopicMass | 341.124981 |
| CLogP | -0.656 |
| CLogS | -3.227 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 265.9 |
| Relative PSA | 0.36965 |
| PolarSurfaceArea | 119.5 |
| Druglikeness | 1.0742 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylhydrazinylidene)methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylhydrazinylidene)methyl]phenoxy]acetate
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