N-[(Z)-(2-bromo-5-hydroxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C19H15N2O2Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-bromo-5-hydroxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-bromo-5-hydroxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C19H15N2O2Br |
| Smiles | Oc(cc1)cc(/C=N\NC(Cc2cccc3ccccc23)=O)c1Br |
| InChI | InChI=1S/C19H15BrN2O2/c20-18-9-8-16(23)10-15(18)12-21-22-19(24)11-14-6-3-5-13-4-1-2-7-17(13)14/h1-10,12,23H,11H2,(H,22,24) |
| InChIK | ZJTSJHONUNQSDU-UHFFFAOYSA-N |
| TotalMolweight | 383.244 |
| Molweight | 383.244 |
| MonoisotopicMass | 382.031689 |
| CLogP | 4.7736 |
| CLogS | -5.83 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 260.33 |
| Relative PSA | 0.18865 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 2.5525 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| StereoCon |
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