N-[(Z)-(2-fluorophenyl)methylideneamino]naphthalene-1-carboxamide
Formula:C18H13N2OF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-fluorophenyl)methylideneamino]naphthalene-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-fluorophenyl)methylideneamino]naphthalene-1-carboxamide |
| MolecularFormula | C18H13N2OF |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C18H13FN2O/c19-17-11-4-2-7-14(17)12-20-21-18(22)16-10-5-8-13-6-1-3-9-15(13)16/h1-12H,(H,21,22) |
| InChIK | CRQONLYBIMRVLL-UHFFFAOYSA-N |
| TotalMolweight | 292.312 |
| Molweight | 292.312 |
| MonoisotopicMass | 292.101191 |
| CLogP | 4.4968 |
| CLogS | -5.641 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 227.94 |
| Relative PSA | 0.15798 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.1287 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| StereoCon |
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