N-[(Z)-[4-(3-fluoropropoxy)phenyl]methylideneamino]-4-(trifluoromethyl)benzamide
Formula:C18H16N2O2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(3-fluoropropoxy)phenyl]methylideneamino]-4-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(3-fluoropropoxy)phenyl]methylideneamino]-4-(trifluoromethyl)benzamide |
| MolecularFormula | C18H16N2O2F4 |
| Smiles | O=C(c1ccc(C(F)(F)F)cc1)N/N=C\c(cc1)ccc1OCCCF |
| InChI | InChI=1S/C18H16F4N2O2/c19-10-1-11-26-16-8-2-13(3-9-16)12-23-24-17(25)14-4-6-15(7-5-14)18(20,21)22/h2-9,12H,1,10-11H2,(H,24,25) |
| InChIK | ACGUBTFFNUBHKQ-UHFFFAOYSA-N |
| TotalMolweight | 368.329 |
| Molweight | 368.329 |
| MonoisotopicMass | 368.11479 |
| CLogP | 4.615 |
| CLogS | -5.162 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 274.08 |
| Relative PSA | 0.16787 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -3.5443 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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