N-[(Z)-(2-chloro-5-phenylfuran-3-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Formula:C22H15N2O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-chloro-5-phenylfuran-3-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-phenylfuran-3-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C22H15N2O3Cl |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(cc(-c1ccccc1)o1)c1Cl)=O |
| InChI | InChI=1S/C22H15ClN2O3/c23-21-17(12-20(28-21)14-6-2-1-3-7-14)13-24-25-22(27)18-10-15-8-4-5-9-16(15)11-19(18)26/h1-13,26H,(H,25,27) |
| InChIK | YFWKCUGGAWGQRJ-UHFFFAOYSA-N |
| TotalMolweight | 390.825 |
| Molweight | 390.825 |
| MonoisotopicMass | 390.07712 |
| CLogP | 5.6386 |
| CLogS | -6.966 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 292.81 |
| Relative PSA | 0.21591 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 2.3205 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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