1-[3,5-bis(trifluoromethyl)phenyl]-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]urea
Formula:C17H10N3OF9
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]urea is not a drug-like molecule.
| MolName | 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]urea |
| MolecularFormula | C17H10N3OF9 |
| Smiles | O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C17H10F9N3O/c18-15(19,20)10-3-1-9(2-4-10)8-27-29-14(30)28-13-6-11(16(21,22)23)5-12(7-13)17(24,25)26/h1-8H,(H2,28,29,30) |
| InChIK | YUPIQBUHCKENOA-UHFFFAOYSA-N |
| TotalMolweight | 443.268 |
| Molweight | 443.268 |
| MonoisotopicMass | 443.068014 |
| CLogP | 5.7404 |
| CLogS | -6.571 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 286.83 |
| Relative PSA | 0.1655 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -3.4065 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 12 |
| Amides | 1 |
| StereoCon |
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