4-[5-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C19H12N2O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 4-[5-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C19H12N2O4Cl2 |
| Smiles | OC(c(cc1)ccc1-c1ccc(/C=N\NC(c(ccc(Cl)c2)c2Cl)=O)o1)=O |
| InChI | InChI=1S/C19H12Cl2N2O4/c20-13-5-7-15(16(21)9-13)18(24)23-22-10-14-6-8-17(27-14)11-1-3-12(4-2-11)19(25)26/h1-10H,(H,23,24)(H,25,26) |
| InChIK | WWUMKWMLJDSQLU-UHFFFAOYSA-N |
| TotalMolweight | 403.22 |
| Molweight | 403.22 |
| MonoisotopicMass | 402.017412 |
| CLogP | 4.8376 |
| CLogS | -6.666 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 291.38 |
| Relative PSA | 0.26172 |
| PolarSurfaceArea | 91.9 |
| Druglikeness | 6.3438 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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