5-bromo-2-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
Formula:C18H13N2O2Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
5-bromo-2-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 5-bromo-2-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide |
| MolecularFormula | C18H13N2O2Br |
| Smiles | Oc(ccc(Br)c1)c1C(N/N=C\c1cccc2ccccc12)=O |
| InChI | InChI=1S/C18H13BrN2O2/c19-14-8-9-17(22)16(10-14)18(23)21-20-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-11,22H,(H,21,23) |
| InChIK | AYYNFBPYYQFRGS-UHFFFAOYSA-N |
| TotalMolweight | 369.217 |
| Molweight | 369.217 |
| MonoisotopicMass | 368.016039 |
| CLogP | 4.7755 |
| CLogS | -5.865 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 246.57 |
| Relative PSA | 0.19917 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 2.6304 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
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