3-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]propanamide
Formula:C17H15N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]propanamide |
| MolecularFormula | C17H15N2OF3 |
| Smiles | O=C(CCc1ccccc1)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C17H15F3N2O/c18-17(19,20)15-9-5-4-8-14(15)12-21-22-16(23)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,22,23) |
| InChIK | JCICOBZKZVFCKB-UHFFFAOYSA-N |
| TotalMolweight | 320.313 |
| Molweight | 320.313 |
| MonoisotopicMass | 320.113647 |
| CLogP | 4.5024 |
| CLogS | -4.734 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 243.97 |
| Relative PSA | 0.1476 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -3.9895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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