N-[(Z)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-yloxyacetamide
Formula:C19H15N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-yloxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-yloxyacetamide |
| MolecularFormula | C19H15N2O2Br |
| Smiles | O=C(COc1cccc2ccccc12)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C19H15BrN2O2/c20-16-8-3-5-14(11-16)12-21-22-19(23)13-24-18-10-4-7-15-6-1-2-9-17(15)18/h1-12H,13H2,(H,22,23) |
| InChIK | BHEJFRIGAGWYDL-UHFFFAOYSA-N |
| TotalMolweight | 383.244 |
| Molweight | 383.244 |
| MonoisotopicMass | 382.031689 |
| CLogP | 4.6961 |
| CLogS | -5.941 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 263.98 |
| Relative PSA | 0.17429 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.4066 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| StereoCon |
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