| MolName | [3-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C25H18N2O5 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c1cc(OC(/C=C\c2ccco2)=O)ccc1)=O |
| InChI | InChI=1S/C25H18N2O5/c28-23-15-19-7-2-1-6-18(19)14-22(23)25(30)27-26-16-17-5-3-8-21(13-17)32-24(29)11-10-20-9-4-12-31-20/h1-16,28H,(H,27,30) |
| InChIK | MDFRDBCJVGIHGA-UHFFFAOYSA-N |
| TotalMolweight | 426.427 |
| Molweight | 426.427 |
| MonoisotopicMass | 426.121573 |
| CLogP | 4.9987 |
| CLogS | -6.553 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 331.64 |
| Relative PSA | 0.2601 |
| PolarSurfaceArea | 101.13 |
| Druglikeness | 1.8325 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - [3-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate | 2 - [3-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate