[1-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
Formula:C27H18N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate is not a drug-like molecule.
| MolName | [1-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] benzoate |
| MolecularFormula | C27H18N2O4 |
| Smiles | O=C(c1cc(cccc2)c2o1)N/N=C\c(c1ccccc1cc1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C27H18N2O4/c30-26(25-16-20-11-5-7-13-23(20)32-25)29-28-17-22-21-12-6-4-8-18(21)14-15-24(22)33-27(31)19-9-2-1-3-10-19/h1-17H,(H,29,30) |
| InChIK | BJUNQKJEBYMRQZ-UHFFFAOYSA-N |
| TotalMolweight | 434.45 |
| Molweight | 434.45 |
| MonoisotopicMass | 434.126658 |
| CLogP | 6.3321 |
| CLogS | -7.98 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 333.39 |
| Relative PSA | 0.21944 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | 4.4417 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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