N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
Formula:C25H19N2O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide |
| MolecularFormula | C25H19N2O2Br |
| Smiles | O=C(c1ccccc1)N/N=C\c(c1ccccc1cc1)c1OCc1cccc(Br)c1 |
| InChI | InChI=1S/C25H19BrN2O2/c26-21-11-6-7-18(15-21)17-30-24-14-13-19-8-4-5-12-22(19)23(24)16-27-28-25(29)20-9-2-1-3-10-20/h1-16H,17H2,(H,28,29) |
| InChIK | IFQCDNDBMKHQDK-UHFFFAOYSA-N |
| TotalMolweight | 459.342 |
| Molweight | 459.342 |
| MonoisotopicMass | 458.062989 |
| CLogP | 6.4693 |
| CLogS | -7.502 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 323.74 |
| Relative PSA | 0.14212 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.2305 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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