2-chloro-5-[5-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C18H11N2O3Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-chloro-5-[5-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is not a drug-like molecule.
| MolName | 2-chloro-5-[5-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C18H11N2O3Cl3 |
| Smiles | OC(c(cc(cc1)-c2ccc(/C=N\Nc(cc3)cc(Cl)c3Cl)o2)c1Cl)=O |
| InChI | InChI=1S/C18H11Cl3N2O3/c19-14-4-1-10(7-13(14)18(24)25)17-6-3-12(26-17)9-22-23-11-2-5-15(20)16(21)8-11/h1-9,23H,(H,24,25) |
| InChIK | QZPZNTKQJIPZPP-UHFFFAOYSA-N |
| TotalMolweight | 409.655 |
| Molweight | 409.655 |
| MonoisotopicMass | 407.983524 |
| CLogP | 7.0829 |
| CLogS | -6.83 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 289.05 |
| Relative PSA | 0.21872 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 4.273 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-chloro-5-[5-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 2-chloro-5-[5-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
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