5-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid
Formula:C19H14N2O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid is a drug-like molecule.
| MolName | 5-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid |
| MolecularFormula | C19H14N2O5 |
| Smiles | OC(c1cc(C(O)=O)cc(-c2ccc(/C=N\Nc3ccccc3)o2)c1)=O |
| InChI | InChI=1S/C19H14N2O5/c22-18(23)13-8-12(9-14(10-13)19(24)25)17-7-6-16(26-17)11-20-21-15-4-2-1-3-5-15/h1-11,21H,(H,22,23)(H,24,25) |
| InChIK | KQSSUSVJXRXARX-UHFFFAOYSA-N |
| TotalMolweight | 350.329 |
| Molweight | 350.329 |
| MonoisotopicMass | 350.090273 |
| CLogP | 4.75 |
| CLogS | -4.635 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 266.89 |
| Relative PSA | 0.33482 |
| PolarSurfaceArea | 112.13 |
| Druglikeness | 4.2276 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| AcidicOxygens | 2 |
| StereoCon |
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