2-bromo-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
Formula:C25H19N2O2Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-bromo-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2-bromo-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide |
| MolecularFormula | C25H19N2O2Br |
| Smiles | O=C(c(cccc1)c1Br)N/N=C\c1cc(OCc2cccc3ccccc23)ccc1 |
| InChI | InChI=1S/C25H19BrN2O2/c26-24-14-4-3-13-23(24)25(29)28-27-16-18-7-5-11-21(15-18)30-17-20-10-6-9-19-8-1-2-12-22(19)20/h1-16H,17H2,(H,28,29) |
| InChIK | DHUGFCWFPKOOHY-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 | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| 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 |
| StereoCon |
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