N-[(Z)-(2-iodophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C19H15N2OI
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-iodophenyl)methylideneamino]-2-naphthalen-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-iodophenyl)methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C19H15N2OI |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(cccc1)c1I |
| InChI | InChI=1S/C19H15IN2O/c20-18-11-4-2-7-16(18)13-21-22-19(23)12-15-9-5-8-14-6-1-3-10-17(14)15/h1-11,13H,12H2,(H,22,23) |
| InChIK | KTKNCOTURMGXMD-UHFFFAOYSA-N |
| TotalMolweight | 414.241 |
| Molweight | 414.241 |
| MonoisotopicMass | 414.022911 |
| CLogP | 4.8312 |
| CLogS | -6.308 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 261.63 |
| Relative PSA | 0.13764 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.8124 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
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