3-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C26H20N2O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
3-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 3-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C26H20N2O5 |
| Smiles | OC(C(N/N=C\c1ccc(-c2cccc(C(O)=O)c2)o1)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C26H20N2O5/c29-24(30)19-9-7-8-18(16-19)23-15-14-22(33-23)17-27-28-25(31)26(32,20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17,32H,(H,28,31)(H,29,30) |
| InChIK | OTUJKRRKPSAVJT-UHFFFAOYSA-N |
| TotalMolweight | 440.454 |
| Molweight | 440.454 |
| MonoisotopicMass | 440.137223 |
| CLogP | 3.9059 |
| CLogS | -5.9 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 337.06 |
| Relative PSA | 0.26512 |
| PolarSurfaceArea | 112.13 |
| Druglikeness | 7.2538 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 3-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
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