2-chloro-4-[5-[(Z)-[(5-chloro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C21H12N2O5Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-chloro-4-[5-[(Z)-[(5-chloro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is not a drug-like molecule.
| MolName | 2-chloro-4-[5-[(Z)-[(5-chloro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C21H12N2O5Cl2 |
| Smiles | OC(c(ccc(-c1ccc(/C=N\NC(c2cc(cc(cc3)Cl)c3o2)=O)o1)c1)c1Cl)=O |
| InChI | InChI=1S/C21H12Cl2N2O5/c22-13-2-5-18-12(7-13)9-19(30-18)20(26)25-24-10-14-3-6-17(29-14)11-1-4-15(21(27)28)16(23)8-11/h1-10H,(H,25,26)(H,27,28) |
| InChIK | VVJBFZHPFBLHIY-UHFFFAOYSA-N |
| TotalMolweight | 443.241 |
| Molweight | 443.241 |
| MonoisotopicMass | 442.012327 |
| CLogP | 5.3432 |
| CLogS | -7.849 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 315.67 |
| Relative PSA | 0.28628 |
| PolarSurfaceArea | 105.04 |
| Druglikeness | 6.5406 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-chloro-4-[5-[(Z)-[(5-chloro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 2-chloro-4-[5-[(Z)-[(5-chloro-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
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