2-naphthalen-1-yl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
Formula:C24H17N2O2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-naphthalen-1-yl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-naphthalen-1-yl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C24H17N2O2F3 |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 |
| InChI | InChI=1S/C24H17F3N2O2/c25-24(26,27)19-9-4-8-18(13-19)22-12-11-20(31-22)15-28-29-23(30)14-17-7-3-6-16-5-1-2-10-21(16)17/h1-13,15H,14H2,(H,29,30) |
| InChIK | VGRQUBUASLGFIN-UHFFFAOYSA-N |
| TotalMolweight | 422.405 |
| Molweight | 422.405 |
| MonoisotopicMass | 422.124212 |
| CLogP | 6.1813 |
| CLogS | -7.53 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 314.26 |
| Relative PSA | 0.15949 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -0.73528 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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