3-hydroxy-N-[(Z)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide
Formula:C21H15N3O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-hydroxy-N-[(Z)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C21H15N3O3S |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(o1)ccc1Sc1ncccc1)=O |
| InChI | InChI=1S/C21H15N3O3S/c25-18-12-15-6-2-1-5-14(15)11-17(18)21(26)24-23-13-16-8-9-20(27-16)28-19-7-3-4-10-22-19/h1-13,25H,(H,24,26) |
| InChIK | UIBFVDIHIDUSHS-UHFFFAOYSA-N |
| TotalMolweight | 389.434 |
| Molweight | 389.434 |
| MonoisotopicMass | 389.083412 |
| CLogP | 4.254 |
| CLogS | -5.23 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 293.64 |
| Relative PSA | 0.31222 |
| PolarSurfaceArea | 113.02 |
| Druglikeness | 6.6771 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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