2-[2-[(E)-(furan-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
Formula:C14H12N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(E)-(furan-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(E)-(furan-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C14H12N2O5 |
| Smiles | OC(COc1c(/C=N/NC(c2ccco2)=O)cccc1)=O |
| InChI | InChI=1S/C14H12N2O5/c17-13(18)9-21-11-5-2-1-4-10(11)8-15-16-14(19)12-6-3-7-20-12/h1-8H,9H2,(H,16,19)(H,17,18) |
| InChIK | CPOBEIYWRTZHBW-UHFFFAOYSA-N |
| TotalMolweight | 288.258 |
| Molweight | 288.258 |
| MonoisotopicMass | 288.074623 |
| CLogP | 1.4503 |
| CLogS | -3.196 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 224.54 |
| Relative PSA | 0.38416 |
| PolarSurfaceArea | 101.13 |
| Druglikeness | 4.561 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(E)-(furan-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid | 2 - 2-[2-[(E)-(furan-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
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