N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C23H16N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C23H16N3O2F3 |
| Smiles | N#Cc1c(COc2ccc(/C=N\NC(c3cccc(C(F)(F)F)c3)=O)cc2)cccc1 |
| InChI | InChI=1S/C23H16F3N3O2/c24-23(25,26)20-7-3-6-17(12-20)22(30)29-28-14-16-8-10-21(11-9-16)31-15-19-5-2-1-4-18(19)13-27/h1-12,14H,15H2,(H,29,30) |
| InChIK | BJZGAOYYCCLLRM-UHFFFAOYSA-N |
| TotalMolweight | 423.393 |
| Molweight | 423.393 |
| MonoisotopicMass | 423.119461 |
| CLogP | 5.2336 |
| CLogS | -6.613 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 321.68 |
| Relative PSA | 0.18518 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -7.4495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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