N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C23H17N2O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C23H17N2O2Br |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c1ccc(-c(cc2)ccc2Br)o1 |
| InChI | InChI=1S/C23H17BrN2O2/c24-19-10-8-17(9-11-19)22-13-12-20(28-22)15-25-26-23(27)14-18-6-3-5-16-4-1-2-7-21(16)18/h1-13,15H,14H2,(H,26,27) |
| InChIK | ODJIAJGNBFJYRJ-UHFFFAOYSA-N |
| TotalMolweight | 433.304 |
| Molweight | 433.304 |
| MonoisotopicMass | 432.047339 |
| CLogP | 6.0582 |
| CLogS | -7.586 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 303.43 |
| Relative PSA | 0.16518 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 4.6647 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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