4-[5-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C20H15N2O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-[5-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 4-[5-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C20H15N2O5Cl |
| Smiles | OC(c(cc1)ccc1-c1ccc(/C=N\NC(COc(cc2)ccc2Cl)=O)o1)=O |
| InChI | InChI=1S/C20H15ClN2O5/c21-15-5-7-16(8-6-15)27-12-19(24)23-22-11-17-9-10-18(28-17)13-1-3-14(4-2-13)20(25)26/h1-11H,12H2,(H,23,24)(H,25,26) |
| InChIK | OJRWWEVKKSNQLC-UHFFFAOYSA-N |
| TotalMolweight | 398.801 |
| Molweight | 398.801 |
| MonoisotopicMass | 398.06695 |
| CLogP | 3.8065 |
| CLogS | -5.71 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 299.72 |
| Relative PSA | 0.2878 |
| PolarSurfaceArea | 101.13 |
| Druglikeness | 6.3209 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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