(2Z)-2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid
Formula:C11H11N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2Z)-2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid is a drug-like molecule.
| MolName | (2Z)-2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid |
| MolecularFormula | C11H11N3O5 |
| Smiles | OC(CC/C(/C(O)=O)=N/NC(c1ncccc1)=O)=O |
| InChI | InChI=1S/C11H11N3O5/c15-9(16)5-4-8(11(18)19)13-14-10(17)7-3-1-2-6-12-7/h1-3,6H,4-5H2,(H,14,17)(H,15,16)(H,18,19) |
| InChIK | CTAHYOHYIPRBHR-UHFFFAOYSA-N |
| TotalMolweight | 265.224 |
| Molweight | 265.224 |
| MonoisotopicMass | 265.069872 |
| CLogP | -0.6034 |
| CLogS | -1.406 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 199.92 |
| Relative PSA | 0.4965 |
| PolarSurfaceArea | 128.95 |
| Druglikeness | 1.5477 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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