3-phenyl-N-[(Z)-[[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methylidene]amino]propanamide
Formula:C24H18N2OF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-N-[(Z)-[[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methylidene]amino]propanamide is not a drug-like molecule.
| MolName | 3-phenyl-N-[(Z)-[[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methylidene]amino]propanamide |
| MolecularFormula | C24H18N2OF6 |
| Smiles | O=C(CCc1ccccc1)N/N=C(/c1ccc(C(F)(F)F)cc1)\c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C24H18F6N2O/c25-23(26,27)19-12-10-17(11-13-19)22(18-7-4-8-20(15-18)24(28,29)30)32-31-21(33)14-9-16-5-2-1-3-6-16/h1-8,10-13,15H,9,14H2,(H,31,33) |
| InChIK | UDXXXEMCFRUWKD-UHFFFAOYSA-N |
| TotalMolweight | 464.408 |
| Molweight | 464.408 |
| MonoisotopicMass | 464.132331 |
| CLogP | 6.5474 |
| CLogS | -7.288 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 331.4 |
| Relative PSA | 0.10866 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -5.0473 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - 3-phenyl-N-[(Z)-[[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methylidene]amino]propanamide | 2 - 3-phenyl-N-[(Z)-[[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methylidene]amino]propanamide
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