1-phenyl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]methanamine
Formula:C19H15N2OF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-phenyl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]methanamine is a drug-like molecule.
| MolName | 1-phenyl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]methanamine |
| MolecularFormula | C19H15N2OF3 |
| Smiles | FC(c1cc(-c2ccc(/C=N\NCc3ccccc3)o2)ccc1)(F)F |
| InChI | InChI=1S/C19H15F3N2O/c20-19(21,22)16-8-4-7-15(11-16)18-10-9-17(25-18)13-24-23-12-14-5-2-1-3-6-14/h1-11,13,23H,12H2 |
| InChIK | JOCPPKKMOKDRND-UHFFFAOYSA-N |
| TotalMolweight | 344.335 |
| Molweight | 344.335 |
| MonoisotopicMass | 344.113647 |
| CLogP | 4.9064 |
| CLogS | -5.83 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 261.91 |
| Relative PSA | 0.14158 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | -2.331 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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