2-[2-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenoxy]acetic acid
Formula:C14H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C14H13N3O3 |
| Smiles | OC(COc1c(/C=N\Nc2ncccc2)cccc1)=O |
| InChI | InChI=1S/C14H13N3O3/c18-14(19)10-20-12-6-2-1-5-11(12)9-16-17-13-7-3-4-8-15-13/h1-9H,10H2,(H,15,17)(H,18,19) |
| InChIK | VXVPUBULTBYKSV-UHFFFAOYSA-N |
| TotalMolweight | 271.275 |
| Molweight | 271.275 |
| MonoisotopicMass | 271.095692 |
| CLogP | 3.081 |
| CLogS | -2.672 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 215.86 |
| Relative PSA | 0.32465 |
| PolarSurfaceArea | 83.81 |
| Druglikeness | 1.9945 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenoxy]acetic acid
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