1-[3,5-bis(trifluoromethyl)phenyl]-3-[(Z)-(4-fluorophenyl)methylideneamino]urea
Formula:C16H10N3OF7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(Z)-(4-fluorophenyl)methylideneamino]urea is a drug-like molecule.
| MolName | 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(Z)-(4-fluorophenyl)methylideneamino]urea |
| MolecularFormula | C16H10N3OF7 |
| Smiles | O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C16H10F7N3O/c17-12-3-1-9(2-4-12)8-24-26-14(27)25-13-6-10(15(18,19)20)5-11(7-13)16(21,22)23/h1-8H,(H2,25,26,27) |
| InChIK | SLOKCQRJHRVGRJ-UHFFFAOYSA-N |
| TotalMolweight | 393.261 |
| Molweight | 393.261 |
| MonoisotopicMass | 393.071208 |
| CLogP | 4.9929 |
| CLogS | -6.107 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 263.72 |
| Relative PSA | 0.18 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | -3.4065 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(Z)-(4-fluorophenyl)methylideneamino]urea | 2 - 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(Z)-(4-fluorophenyl)methylideneamino]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off