N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinoline-2-carboxamide
Formula:C28H20N3O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinoline-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinoline-2-carboxamide |
| MolecularFormula | C28H20N3O2Br |
| Smiles | O=C(c1nc2ccccc2cc1)N/N=C\c(c1ccccc1cc1)c1OCc1cccc(Br)c1 |
| InChI | InChI=1S/C28H20BrN3O2/c29-22-9-5-6-19(16-22)18-34-27-15-13-20-7-1-3-10-23(20)24(27)17-30-32-28(33)26-14-12-21-8-2-4-11-25(21)31-26/h1-17H,18H2,(H,32,33) |
| InChIK | ATKCEHTZFCSVNJ-UHFFFAOYSA-N |
| TotalMolweight | 510.39 |
| Molweight | 510.39 |
| MonoisotopicMass | 509.073888 |
| CLogP | 6.8393 |
| CLogS | -8.232 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 357.1 |
| Relative PSA | 0.15956 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.2305 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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