N-[(Z)-[2-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C26H19N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C26H19N2O2F3 |
| Smiles | O=C(c1cccc(C(F)(F)F)c1)N/N=C\c(cccc1)c1OCc1cc2ccccc2cc1 |
| InChI | InChI=1S/C26H19F3N2O2/c27-26(28,29)23-10-5-9-21(15-23)25(32)31-30-16-22-8-3-4-11-24(22)33-17-18-12-13-19-6-1-2-7-20(19)14-18/h1-16H,17H2,(H,31,32) |
| InChIK | VSKIBLRFIGBBSZ-UHFFFAOYSA-N |
| TotalMolweight | 448.443 |
| Molweight | 448.443 |
| MonoisotopicMass | 448.139862 |
| CLogP | 6.5924 |
| CLogS | -7.446 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 334.57 |
| Relative PSA | 0.13752 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -3.1695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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