4-chloro-3-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
Formula:C26H18N2O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
4-chloro-3-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 4-chloro-3-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate |
| MolecularFormula | C26H18N2O5Cl |
| Smiles | [O-]C(c(cc1)cc(-c2ccc(/C=N\NC(C(c3ccccc3)(c3ccccc3)O)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C26H19ClN2O5/c27-22-13-11-17(24(30)31)15-21(22)23-14-12-20(34-23)16-28-29-25(32)26(33,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,33H,(H,29,32)(H,30,31)/p-1 |
| InChIK | YYOBCMDPFNCHHM-UHFFFAOYSA-M |
| TotalMolweight | 473.891 |
| Molweight | 473.891 |
| MonoisotopicMass | 473.090425 |
| CLogP | 2.4359 |
| CLogS | -6.636 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 353.66 |
| Relative PSA | 0.25601 |
| PolarSurfaceArea | 114.96 |
| Druglikeness | 7.5111 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 - 4-chloro-3-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate | 2 - 4-chloro-3-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
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