5-[5-[(Z)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]furan-2-yl]-2-chlorobenzoate
Formula:C25H14N2O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
5-[5-[(Z)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]furan-2-yl]-2-chlorobenzoate is a drug-like molecule.
| MolName | 5-[5-[(Z)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]furan-2-yl]-2-chlorobenzoate |
| MolecularFormula | C25H14N2O5Cl |
| Smiles | [O-]C(c(cc(cc1)-c2ccc(/C=N\NC(c3cc(c4ccccc4cc4)c4o3)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C25H15ClN2O5/c26-20-8-5-15(11-19(20)25(30)31)21-10-7-16(32-21)13-27-28-24(29)23-12-18-17-4-2-1-3-14(17)6-9-22(18)33-23/h1-13H,(H,28,29)(H,30,31)/p-1 |
| InChIK | FLKOSYUFXVTPTM-UHFFFAOYSA-M |
| TotalMolweight | 457.848 |
| Molweight | 457.848 |
| MonoisotopicMass | 457.059125 |
| CLogP | 3.8556 |
| CLogS | -8.719 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 336.03 |
| Relative PSA | 0.27245 |
| PolarSurfaceArea | 107.87 |
| Druglikeness | 6.7276 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 5-[5-[(Z)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]furan-2-yl]-2-chlorobenzoate | 2 - 5-[5-[(Z)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]furan-2-yl]-2-chlorobenzoate
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