5-[5-[(Z)-[(3-carboxy-4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
Formula:C19H12N2O5Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[5-[(Z)-[(3-carboxy-4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoic acid is not a drug-like molecule.
| MolName | 5-[5-[(Z)-[(3-carboxy-4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoic acid |
| MolecularFormula | C19H12N2O5Cl2 |
| Smiles | OC(c(cc(cc1)-c2ccc(/C=N\Nc(cc3)cc(C(O)=O)c3Cl)o2)c1Cl)=O |
| InChI | InChI=1S/C19H12Cl2N2O5/c20-15-4-1-10(7-13(15)18(24)25)17-6-3-12(28-17)9-22-23-11-2-5-16(21)14(8-11)19(26)27/h1-9,23H,(H,24,25)(H,26,27) |
| InChIK | OEYULIWTDFITKX-UHFFFAOYSA-N |
| TotalMolweight | 419.219 |
| Molweight | 419.219 |
| MonoisotopicMass | 418.012327 |
| CLogP | 5.962 |
| CLogS | -6.107 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 297.73 |
| Relative PSA | 0.30014 |
| PolarSurfaceArea | 112.13 |
| Druglikeness | 4.273 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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