N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C17H13N2O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C17H13N2O2Br |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(o1)ccc1Br |
| InChI | InChI=1S/C17H13BrN2O2/c18-16-9-8-14(22-16)11-19-20-17(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2,(H,20,21) |
| InChIK | PTGNROSWNCKICX-UHFFFAOYSA-N |
| TotalMolweight | 357.206 |
| Molweight | 357.206 |
| MonoisotopicMass | 356.016039 |
| CLogP | 4.4054 |
| CLogS | -5.571 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243.67 |
| Relative PSA | 0.20569 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 3.1547 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| StereoCon |
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