(NZ)-N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
Formula:C18H14NO2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NZ)-N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine is not a drug-like molecule.
| MolName | (NZ)-N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine |
| MolecularFormula | C18H14NO2Br |
| Smiles | O/N=C\c(cc(cc1)Br)c1OCc1cccc2ccccc12 |
| InChI | InChI=1S/C18H14BrNO2/c19-16-8-9-18(15(10-16)11-20-21)22-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11,21H,12H2 |
| InChIK | DLHRHJHJHGTEPR-UHFFFAOYSA-N |
| TotalMolweight | 356.218 |
| Molweight | 356.218 |
| MonoisotopicMass | 355.02079 |
| CLogP | 5.482 |
| CLogS | -6.096 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 241.12 |
| Relative PSA | 0.14354 |
| PolarSurfaceArea | 41.82 |
| Druglikeness | -3.0568 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| StereoCon |
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